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

C18H13N3O4S — CID 3736651

IUPACN-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C18H13N3O4S/c22-17(14-4-1-2-5-15(14)21(24)25)19-12-7-9-13(10-8-12)20-18(23)16-6-3-11-26-16/h1-11H,(H,19,22)(H,20,23)
InChIKeyFBMZXNQVFABRHY-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.16
Rot. Bonds5

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

N-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 3736651) has the molecular formula C18H13N3O4S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID3736651
Molecular FormulaC18H13N3O4S
Molecular Weight367.39 g/mol
Exact Mass367.06
IUPAC NameN-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C18H13N3O4S/c22-17(14-4-1-2-5-15(14)21(24)25)19-12-7-9-13(10-8-12)20-18(23)16-6-3-11-26-16/h1-11H,(H,19,22)(H,20,23)
InChIKeyFBMZXNQVFABRHY-UHFFFAOYSA-N
XLogP4.16
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.16
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
6-Methyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2852188
tetrahydrobenzothiophene (THBT), 21
CID 4398380
tetrahydrobenzothiophene (THBT), 22
CID 5214710
tetrahydrobenzothiophene (THBT), 23
CID 45484341
tetrahydrobenzothiophene (THBT), 25
CID 45484347
N-[2-(phenylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 715970
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-(4-methyl-3-nitrophenyl)-2-thienylcarboxamide
CID 839302
N-[3-[(4-fluorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 960351
N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
CID 1245285
Thiophene-2-carboxylic acid [3-(4-fluoro-benzoylamino)-4-methyl-phenyl]-amide
CID 1432986

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 3736651) is N-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cccs1.
What is the InChIKey of N-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is FBMZXNQVFABRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4S/c22-17(14-4-1-2-5-15(14)21(24)25)19-12-7-9-13(10-8-12)20-18(23)16-6-3-11-26-16/h1-11H,(H,19,22)(H,20,23).
What are the key properties of N-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 367.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-nitrobenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3736651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).