N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide

C30H31ClN4O5S — CID 42828322

IUPACN-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(C)cc2)CC2CCCO2)cc1
InChIInChI=1S/C30H31ClN4O5S/c1-21-5-11-24(12-6-21)35-19-28(22-7-9-23(31)10-8-22)32-30(35)33-29(36)20-34(18-26-4-3-17-40-26)41(37,38)27-15-13-25(39-2)14-16-27/h5-16,19,26H,3-4,17-18,20H2,1-2H3,(H,32,33,36)
InChIKeyNRPWMESTWBMLBK-UHFFFAOYSA-N
MW595.12 g/mol
LogP5.32
Rot. Bonds10

About N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide

N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 42828322) has the molecular formula C30H31ClN4O5S and a molecular weight of 595.12 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
PubChem CID42828322
Molecular FormulaC30H31ClN4O5S
Molecular Weight595.12 g/mol
Exact Mass594.17
IUPAC NameN-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(C)cc2)CC2CCCO2)cc1
InChIInChI=1S/C30H31ClN4O5S/c1-21-5-11-24(12-6-21)35-19-28(22-7-9-23(31)10-8-22)32-30(35)33-29(36)20-34(18-26-4-3-17-40-26)41(37,38)27-15-13-25(39-2)14-16-27/h5-16,19,26H,3-4,17-18,20H2,1-2H3,(H,32,33,36)
InChIKeyNRPWMESTWBMLBK-UHFFFAOYSA-N
XLogP5.32
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.12
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 98442109
N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide
CID 46145612
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
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
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98441779
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-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98437025
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42829866
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
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145792
3-methoxy-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42828152

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide (CID 42828322) is N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(C)cc2)CC2CCCO2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is NRPWMESTWBMLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O5S/c1-21-5-11-24(12-6-21)35-19-28(22-7-9-23(31)10-8-22)32-30(35)33-29(36)20-34(18-26-4-3-17-40-26)41(37,38)27-15-13-25(39-2)14-16-27/h5-16,19,26H,3-4,17-18,20H2,1-2H3,(H,32,33,36).
What are the key properties of N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide?
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 595.12 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 42828322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).