N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C29H26N4O3S — CID 42827197

IUPACN-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(Cc2ccco2)C(=O)c2cccs2)cc1C
InChIInChI=1S/C29H26N4O3S/c1-20-12-13-23(16-21(20)2)33-18-25(22-8-4-3-5-9-22)30-29(33)31-27(34)19-32(17-24-10-6-14-36-24)28(35)26-11-7-15-37-26/h3-16,18H,17,19H2,1-2H3,(H,30,31,34)
InChIKeyMSUCIIMZYIVSJG-UHFFFAOYSA-N
MW510.62 g/mol
LogP6.09
Rot. Bonds8

About N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 42827197) has the molecular formula C29H26N4O3S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID42827197
Molecular FormulaC29H26N4O3S
Molecular Weight510.62 g/mol
Exact Mass510.17
IUPAC NameN-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(Cc2ccco2)C(=O)c2cccs2)cc1C
InChIInChI=1S/C29H26N4O3S/c1-20-12-13-23(16-21(20)2)33-18-25(22-8-4-3-5-9-22)30-29(33)31-27(34)19-32(17-24-10-6-14-36-24)28(35)26-11-7-15-37-26/h3-16,18H,17,19H2,1-2H3,(H,30,31,34)
InChIKeyMSUCIIMZYIVSJG-UHFFFAOYSA-N
XLogP6.09
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42827140
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 98443031
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 98443032
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 42826819
N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
CID 42827290
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 46146495
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 42827205
N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42826368
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 46145530
2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
CID 46146470
N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 46146430
N-[[(2R)-oxolan-2-yl]methyl]-N-[2-oxo-2-[[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 93151281

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 42827197) is N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(Cc2ccco2)C(=O)c2cccs2)cc1C.
What is the InChIKey of N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is MSUCIIMZYIVSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3S/c1-20-12-13-23(16-21(20)2)33-18-25(22-8-4-3-5-9-22)30-29(33)31-27(34)19-32(17-24-10-6-14-36-24)28(35)26-11-7-15-37-26/h3-16,18H,17,19H2,1-2H3,(H,30,31,34).
What are the key properties of N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 42827197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).