N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide

C19H15N3O4S — CID 3396862

IUPACN-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15N3O4S/c1-12-4-5-13(11-16(12)22(25)26)18(23)20-14-6-8-15(9-7-14)21-19(24)17-3-2-10-27-17/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyNRYGVRRTIUWZOC-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.47
Rot. Bonds5

About N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 3396862) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID3396862
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC NameN-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15N3O4S/c1-12-4-5-13(11-16(12)22(25)26)18(23)20-14-6-8-15(9-7-14)21-19(24)17-3-2-10-27-17/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyNRYGVRRTIUWZOC-UHFFFAOYSA-N
XLogP4.47
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 2928882
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-(4-methyl-3-nitrophenyl)-2-thienylcarboxamide
CID 839302
N-{4-[(cyclopropylcarbonyl)amino]-2-methylphenyl}thiophene-2-carboxamide
CID 977091
N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
CID 1245285
4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide
CID 2971457
N-{4-[(2-phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 3162290
2-({3-Nitro-4-methylbenzoyl}amino)-5-methyl-4-phenylthiophene-3-carboxamide
CID 1014820
4-(4-Tert-butylphenyl)-2-({3-nitrobenzoyl}amino)-5-methylthiophene-3-carboxamide
CID 1225264
Thiophene-2-carboxylic acid [2-(3-nitro-phenyl)-1-p-tolylcarbamoyl-vinyl]-amide
CID 5442636
N-(2-methyl-4-nitrophenyl)-3-(2-thienyl)acrylamide
CID 5736817
rac-3-(4-Nitrophenylamino)-3-(thiophen-3-yl)-1-p-tolylpropan-1-one
CID 46906482

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 3396862) is N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is NRYGVRRTIUWZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-12-4-5-13(11-16(12)22(25)26)18(23)20-14-6-8-15(9-7-14)21-19(24)17-3-2-10-27-17/h2-11H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3396862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).