4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide

C19H17N3O3S — CID 18117315

IUPAC4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H17N3O3S/c1-21(12-14-9-10-26-13-14)19(23)15-7-8-17(18(11-15)22(24)25)20-16-5-3-2-4-6-16/h2-11,13,20H,12H2,1H3
InChIKeyQFZORUNZOHQBIP-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.67
Rot. Bonds6

About 4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide

4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 18117315) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID18117315
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H17N3O3S/c1-21(12-14-9-10-26-13-14)19(23)15-7-8-17(18(11-15)22(24)25)20-16-5-3-2-4-6-16/h2-11,13,20H,12H2,1H3
InChIKeyQFZORUNZOHQBIP-UHFFFAOYSA-N
XLogP4.67
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
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-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
4-anilino-3-nitrobenzoic acid
CID 3824366
N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117285
4-[4-(2-hydroxyethyl)anilino]-N,N-dimethyl-3-nitrobenzamide
CID 141052734
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 103799855
N-benzyl-4-chloro-N-methyl-3,5-dinitrobenzamide
CID 4633771
4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 78855712
N-benzyl-N,3-dimethyl-4-nitrobenzamide
CID 786991
2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 115937127
5-amino-4-fluoro-N-methyl-2-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 62155138
methyl 4-[(4-anilino-3-nitrobenzoyl)amino]butanoate
CID 60592651

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide (CID 18117315) is 4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is QFZORUNZOHQBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-21(12-14-9-10-26-13-14)19(23)15-7-8-17(18(11-15)22(24)25)20-16-5-3-2-4-6-16/h2-11,13,20H,12H2,1H3.
What are the key properties of 4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 367.43 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 18117315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).