2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide

C24H33N3O5S — CID 125059458

IUPAC2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1OC
InChIInChI=1S/C24H33N3O5S/c1-18(19-8-10-20(11-9-19)27-14-6-5-7-15-27)25-24(28)17-26(2)33(29,30)21-12-13-22(31-3)23(16-21)32-4/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,25,28)/t18-/m1/s1
InChIKeyDPOIGALAZXJRSI-GOSISDBHSA-N
MW475.61 g/mol
LogP3.19
Rot. Bonds9

About 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide

2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide (PubChem CID 125059458) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide
PubChem CID125059458
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1OC
InChIInChI=1S/C24H33N3O5S/c1-18(19-8-10-20(11-9-19)27-14-6-5-7-15-27)25-24(28)17-26(2)33(29,30)21-12-13-22(31-3)23(16-21)32-4/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,25,28)/t18-/m1/s1
InChIKeyDPOIGALAZXJRSI-GOSISDBHSA-N
XLogP3.19
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 133265243
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28546036
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 133186047
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547003
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43896720
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871944
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401323
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 28546620
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871818
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43892474
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 41263670
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 133224819

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide (CID 125059458) is 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The InChIKey is DPOIGALAZXJRSI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-18(19-8-10-20(11-9-19)27-14-6-5-7-15-27)25-24(28)17-26(2)33(29,30)21-12-13-22(31-3)23(16-21)32-4/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,25,28)/t18-/m1/s1.
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide?
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide has a molecular weight of 475.61 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 125059458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).