N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide

C31H34N4O6S — CID 98442109

IUPACN-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)c(NC(=O)CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C31H34N4O6S/c1-22-6-16-28(17-7-22)42(37,38)34(19-27-5-4-18-41-27)21-30(36)33-31-32-29(23-8-12-25(39-2)13-9-23)20-35(31)24-10-14-26(40-3)15-11-24/h6-17,20,27H,4-5,18-19,21H2,1-3H3,(H,32,33,36)/t27-/m0/s1
InChIKeyAQAOYMXPYDXIBP-MHZLTWQESA-N
MW590.70 g/mol
LogP4.67
Rot. Bonds11

About N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide

N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide (PubChem CID 98442109) has the molecular formula C31H34N4O6S and a molecular weight of 590.70 g/mol. Its IUPAC name is N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
PubChem CID98442109
Molecular FormulaC31H34N4O6S
Molecular Weight590.70 g/mol
Exact Mass590.22
IUPAC NameN-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)c(NC(=O)CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C31H34N4O6S/c1-22-6-16-28(17-7-22)42(37,38)34(19-27-5-4-18-41-27)21-30(36)33-31-32-29(23-8-12-25(39-2)13-9-23)20-35(31)24-10-14-26(40-3)15-11-24/h6-17,20,27H,4-5,18-19,21H2,1-3H3,(H,32,33,36)/t27-/m0/s1
InChIKeyAQAOYMXPYDXIBP-MHZLTWQESA-N
XLogP4.67
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.70
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 42828322
N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 93153009
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98432331
3-methoxy-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42828152
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 93153743
N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide
CID 46145612
2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 46146559
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93151716
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145617
2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830591
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145799
4-chloro-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98405658

Frequently Asked Questions

What is the IUPAC name of N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?
The IUPAC name of N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide (CID 98442109) is N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide is COc1ccc(-c2cn(-c3ccc(OC)cc3)c(NC(=O)CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?
The InChIKey is AQAOYMXPYDXIBP-MHZLTWQESA-N. The full InChI is InChI=1S/C31H34N4O6S/c1-22-6-16-28(17-7-22)42(37,38)34(19-27-5-4-18-41-27)21-30(36)33-31-32-29(23-8-12-25(39-2)13-9-23)20-35(31)24-10-14-26(40-3)15-11-24/h6-17,20,27H,4-5,18-19,21H2,1-3H3,(H,32,33,36)/t27-/m0/s1.
What are the key properties of N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide has a molecular weight of 590.70 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 98442109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).