N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide

C20H18N2O3S — CID 9324777

IUPACN-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(C)c2)cc1
InChIInChI=1S/C20H18N2O3S/c1-13-12-15(21-19(23)14-5-8-16(25-2)9-6-14)7-10-17(13)22-20(24)18-4-3-11-26-18/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDTZJSENWNOMAHU-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.57
Rot. Bonds5

About N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide

N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide (PubChem CID 9324777) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
PubChem CID9324777
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(C)c2)cc1
InChIInChI=1S/C20H18N2O3S/c1-13-12-15(21-19(23)14-5-8-16(25-2)9-6-14)7-10-17(13)22-20(24)18-4-3-11-26-18/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDTZJSENWNOMAHU-UHFFFAOYSA-N
XLogP4.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 17358957
N-[5-[(4-methoxybenzoyl)amino]-4-methyl-2-pyridinyl]thiophene-2-carboxamide
CID 1449430
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 1092077
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
3-methyl-4-(thiophene-2-carbonylamino)benzoate
CID 6978677
N-[2-chloro-5-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 42994538
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4304532
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide (CID 9324777) is N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide is COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(C)c2)cc1.
What is the InChIKey of N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide?
The InChIKey is DTZJSENWNOMAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13-12-15(21-19(23)14-5-8-16(25-2)9-6-14)7-10-17(13)22-20(24)18-4-3-11-26-18/h3-12H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide?
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9324777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).