methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide

C57H100N8O10S2 — CID 161355135

IUPACmethane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide
SMILESC.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)[C@@H]2CCCC(N3CCN(C(C)C)CC3)C2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)[C@H]2CCC[C@H](N3CCN(C(C)C)CC3)C2)c(C)c1
InChIInChI=1S/2C28H48N4O5S.CH4/c2*1-21(2)31-11-13-32(14-12-31)25-10-8-9-24(19-25)30(6)27(33)20-37-16-15-29(5)38(34,35)28-22(3)17-26(36-7)18-23(28)4;/h2*17-18,21,24-25H,8-16,19-20H2,1-7H3;1H4/t24-,25?;24-,25-;/m10./s1
InChIKeyVOLCNPGNHPKOKF-WMXJOGCNSA-N
MW1121.61 g/mol
LogP6.13
Rot. Bonds22

About methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide

methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide (PubChem CID 161355135) has the molecular formula C57H100N8O10S2 and a molecular weight of 1121.61 g/mol. Its IUPAC name is methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Namemethane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide
PubChem CID161355135
Molecular FormulaC57H100N8O10S2
Molecular Weight1121.61 g/mol
Exact Mass1120.70
IUPAC Namemethane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide
SMILESC.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)[C@@H]2CCCC(N3CCN(C(C)C)CC3)C2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)[C@H]2CCC[C@H](N3CCN(C(C)C)CC3)C2)c(C)c1
InChIInChI=1S/2C28H48N4O5S.CH4/c2*1-21(2)31-11-13-32(14-12-31)25-10-8-9-24(19-25)30(6)27(33)20-37-16-15-29(5)38(34,35)28-22(3)17-26(36-7)18-23(28)4;/h2*17-18,21,24-25H,8-16,19-20H2,1-7H3;1H4/t24-,25?;24-,25-;/m10./s1
InChIKeyVOLCNPGNHPKOKF-WMXJOGCNSA-N
XLogP6.13
TPSA165.26 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.61
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide with MolForge

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Related Compounds

N-[(1R,3S)-3-(4-cyclopentylpiperazin-1-yl)cyclopentyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;N-[3-(4-cyclopentylpiperazin-1-yl)cyclopentyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
CID 160540126
N-[3-(4-ethylpiperazin-1-yl)cyclohexyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
CID 58236026
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3R)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]acetamide
CID 56835871
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R,3R)-3-piperazin-1-ylcyclohexyl]acetamide
CID 42603220
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(3R)-3-piperazin-1-ylcyclohexyl]acetamide
CID 147642338
N-[(1S,3S)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
CID 25192123
N-[(1S,3S)-3-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
CID 58529216
N-[(1R,3S)-3-(4-ethylpiperazin-1-yl)cyclopentyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
CID 42602692
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
CID 25193097
4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
CID 68869570
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(3R)-1-(2-pyrrolidin-1-ylpropanoyl)pyrrolidin-3-yl]acetamide
CID 59597931
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(3R)-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide
CID 59597780

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide?
The IUPAC name of methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide (CID 161355135) is methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide.
What is the SMILES notation for methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide?
The canonical SMILES for methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide is C.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)[C@@H]2CCCC(N3CCN(C(C)C)CC3)C2)c(C)c1.COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)[C@H]2CCC[C@H](N3CCN(C(C)C)CC3)C2)c(C)c1.
What is the InChIKey of methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide?
The InChIKey is VOLCNPGNHPKOKF-WMXJOGCNSA-N. The full InChI is InChI=1S/2C28H48N4O5S.CH4/c2*1-21(2)31-11-13-32(14-12-31)25-10-8-9-24(19-25)30(6)27(33)20-37-16-15-29(5)38(34,35)28-22(3)17-26(36-7)18-23(28)4;/h2*17-18,21,24-25H,8-16,19-20H2,1-7H3;1H4/t24-,25?;24-,25-;/m10./s1.
What are the key properties of methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide?
methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide has a molecular weight of 1121.61 g/mol, XLogP of 6.13, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide;2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide is sourced from PubChem (CID 161355135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).