2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide

C15H14ClN3O4S — CID 1292949

IUPAC2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C15H14ClN3O4S/c1-3-9-7(2)24-15(12(9)13(17)20)18-14(21)10-5-4-8(16)6-11(10)19(22)23/h4-6H,3H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyACQPZBSJACCKGO-UHFFFAOYSA-N
MW367.81 g/mol
LogP3.53
Rot. Bonds5

About 2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide

2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide (PubChem CID 1292949) has the molecular formula C15H14ClN3O4S and a molecular weight of 367.81 g/mol. Its IUPAC name is 2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
PubChem CID1292949
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.81 g/mol
Exact Mass367.04
IUPAC Name2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C15H14ClN3O4S/c1-3-9-7(2)24-15(12(9)13(17)20)18-14(21)10-5-4-8(16)6-11(10)19(22)23/h4-6H,3H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyACQPZBSJACCKGO-UHFFFAOYSA-N
XLogP3.53
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 53.53
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

4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 868760
ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 4586247
2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 4766562
propan-2-yl 2-[(4-chloro-2-nitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1293111
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 1222417
ethyl 4-ethyl-5-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 3277702
4-chloro-N-(2,6-diethylphenyl)-2-nitrobenzamide
CID 3319431
ethyl 5-carbamoyl-2-[(2,4-dinitrobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 3587276
ethyl 2-[(4-chloro-2-nitrobenzoyl)amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
CID 19226696
2-[(4-chlorobenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168969
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide (CID 1292949) is 2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(N)=O.
What is the InChIKey of 2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
The InChIKey is ACQPZBSJACCKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4S/c1-3-9-7(2)24-15(12(9)13(17)20)18-14(21)10-5-4-8(16)6-11(10)19(22)23/h4-6H,3H2,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of 2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide?
2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide has a molecular weight of 367.81 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1292949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).