4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide

C18H14N4O4S — CID 22636158

IUPAC4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccs2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H14N4O4S/c1-11-2-3-13(17(24)21-18-19-8-9-27-18)10-15(11)20-16(23)12-4-6-14(7-5-12)22(25)26/h2-10H,1H3,(H,20,23)(H,19,21,24)
InChIKeyMWQQOQBTWZMBLP-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.86
Rot. Bonds5

About 4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide

4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 22636158) has the molecular formula C18H14N4O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID22636158
Molecular FormulaC18H14N4O4S
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC Name4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nccs2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H14N4O4S/c1-11-2-3-13(17(24)21-18-19-8-9-27-18)10-15(11)20-16(23)12-4-6-14(7-5-12)22(25)26/h2-10H,1H3,(H,20,23)(H,19,21,24)
InChIKeyMWQQOQBTWZMBLP-UHFFFAOYSA-N
XLogP3.86
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361103
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878
3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 16649035
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
N-(3-methylthiophen-2-yl)-4-nitrobenzamide
CID 19689921
2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 72697999
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide
CID 126649145

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide (CID 22636158) is 4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nccs2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is MWQQOQBTWZMBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S/c1-11-2-3-13(17(24)21-18-19-8-9-27-18)10-15(11)20-16(23)12-4-6-14(7-5-12)22(25)26/h2-10H,1H3,(H,20,23)(H,19,21,24).
What are the key properties of 4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 382.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22636158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).