N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide

C24H30N4O5S — CID 59597676

IUPACN-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)Nc2ccc(Cn3ccnc3)cc2)c(C)c1
InChIInChI=1S/C24H30N4O5S/c1-18-13-22(32-4)14-19(2)24(18)34(30,31)27(3)11-12-33-16-23(29)26-21-7-5-20(6-8-21)15-28-10-9-25-17-28/h5-10,13-14,17H,11-12,15-16H2,1-4H3,(H,26,29)
InChIKeyLOFTYRYWSNXMRP-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.83
Rot. Bonds11

About N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide

N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide (PubChem CID 59597676) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide.

Molecular Properties

Compound NameN-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide
PubChem CID59597676
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)Nc2ccc(Cn3ccnc3)cc2)c(C)c1
InChIInChI=1S/C24H30N4O5S/c1-18-13-22(32-4)14-19(2)24(18)34(30,31)27(3)11-12-33-16-23(29)26-21-7-5-20(6-8-21)15-28-10-9-25-17-28/h5-10,13-14,17H,11-12,15-16H2,1-4H3,(H,26,29)
InChIKeyLOFTYRYWSNXMRP-UHFFFAOYSA-N
XLogP2.83
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine;bis(N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide);2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetic acid
CID 157489019
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]ethoxy]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 143631851
4-(dimethylamino)-N-[4-[3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]propanoylamino]phenyl]butanamide
CID 59597782
N-[[1-[2-(dimethylamino)ethyl]indol-6-yl]methyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide
CID 59597842
5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide
CID 58816374
N-(4,5-dihydro-1H-imidazol-2-yl)-4-[[[2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetyl]-methylamino]methyl]benzamide
CID 70803851
N-[[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]methyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
CID 59597755
N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]propanamide
CID 24849820
N-[4-(4-aminophenyl)-3-oxobutyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
CID 58116192
N-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]propanamide
CID 59597670
3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]-N-[4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]phenyl]propanamide
CID 24849236
N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 57342678

Frequently Asked Questions

What is the IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide?
The IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide (CID 59597676) is N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide.
What is the SMILES notation for N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide?
The canonical SMILES for N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide is COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)Nc2ccc(Cn3ccnc3)cc2)c(C)c1.
What is the InChIKey of N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide?
The InChIKey is LOFTYRYWSNXMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-18-13-22(32-4)14-19(2)24(18)34(30,31)27(3)11-12-33-16-23(29)26-21-7-5-20(6-8-21)15-28-10-9-25-17-28/h5-10,13-14,17H,11-12,15-16H2,1-4H3,(H,26,29).
What are the key properties of N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide?
N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide has a molecular weight of 486.59 g/mol, XLogP of 2.83, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide is sourced from PubChem (CID 59597676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).