N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide

C25H23N3O3S — CID 39083117

IUPACN-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2c(NC(=O)c3cccs3)ccn2Cc2cccc(C)c2)cc1
InChIInChI=1S/C25H23N3O3S/c1-17-5-3-6-18(15-17)16-28-13-12-21(27-24(29)22-7-4-14-32-22)23(28)25(30)26-19-8-10-20(31-2)11-9-19/h3-15H,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVTNSMRRGWDKFNV-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.42
Rot. Bonds7

About N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide

N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide (PubChem CID 39083117) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide
PubChem CID39083117
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2c(NC(=O)c3cccs3)ccn2Cc2cccc(C)c2)cc1
InChIInChI=1S/C25H23N3O3S/c1-17-5-3-6-18(15-17)16-28-13-12-21(27-24(29)22-7-4-14-32-22)23(28)25(30)26-19-8-10-20(31-2)11-9-19/h3-15H,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVTNSMRRGWDKFNV-UHFFFAOYSA-N
XLogP5.42
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-methoxyphenyl)propanoate
CID 34756076
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852784
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
N-(4-methoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999156
N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide
CID 71955366
[4-(thiophene-2-carbonylamino)phenyl] 2-(2,4-dimethoxyphenyl)acetate
CID 39768822
N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
CID 112985944
N-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 3119793
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
3-(4-methoxyphenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea
CID 3629424

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide (CID 39083117) is N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide is COc1ccc(NC(=O)c2c(NC(=O)c3cccs3)ccn2Cc2cccc(C)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide?
The InChIKey is VTNSMRRGWDKFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-17-5-3-6-18(15-17)16-28-13-12-21(27-24(29)22-7-4-14-32-22)23(28)25(30)26-19-8-10-20(31-2)11-9-19/h3-15H,16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide?
N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)pyrrole-2-carboxamide is sourced from PubChem (CID 39083117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).