N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

C30H25ClN4O3S — CID 46146430

IUPACN-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccccc2)C(=O)c2cccs2)cc1
InChIInChI=1S/C30H25ClN4O3S/c1-38-25-15-13-24(14-16-25)35-19-26(22-9-11-23(31)12-10-22)32-30(35)33-28(36)20-34(18-21-6-3-2-4-7-21)29(37)27-8-5-17-39-27/h2-17,19H,18,20H2,1H3,(H,32,33,36)
InChIKeyUDLLFPRYESDSSO-UHFFFAOYSA-N
MW557.08 g/mol
LogP6.54
Rot. Bonds9

About N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 46146430) has the molecular formula C30H25ClN4O3S and a molecular weight of 557.08 g/mol. Its IUPAC name is N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID46146430
Molecular FormulaC30H25ClN4O3S
Molecular Weight557.08 g/mol
Exact Mass556.13
IUPAC NameN-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccccc2)C(=O)c2cccs2)cc1
InChIInChI=1S/C30H25ClN4O3S/c1-38-25-15-13-24(14-16-25)35-19-26(22-9-11-23(31)12-10-22)32-30(35)33-28(36)20-34(18-21-6-3-2-4-7-21)29(37)27-8-5-17-39-27/h2-17,19H,18,20H2,1H3,(H,32,33,36)
InChIKeyUDLLFPRYESDSSO-UHFFFAOYSA-N
XLogP6.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.08
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42826368
N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42828389
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
N-benzyl-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42827140
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42829866
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145617
N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42827111
4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46146414
2-[acetyl(benzyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830534
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 46146420
N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46145672
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 46146411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 46146430) is N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(Cc2ccccc2)C(=O)c2cccs2)cc1.
What is the InChIKey of N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is UDLLFPRYESDSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN4O3S/c1-38-25-15-13-24(14-16-25)35-19-26(22-9-11-23(31)12-10-22)32-30(35)33-28(36)20-34(18-21-6-3-2-4-7-21)29(37)27-8-5-17-39-27/h2-17,19H,18,20H2,1H3,(H,32,33,36).
What are the key properties of N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 557.08 g/mol, XLogP of 6.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46146430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).