4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide

C15H15N3O4S — CID 868760

IUPAC4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C15H15N3O4S/c1-3-9-8(2)23-15(12(9)13(16)19)17-14(20)10-6-4-5-7-11(10)18(21)22/h4-7H,3H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyKTPYJHGRGUTOKZ-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.88
Rot. Bonds5

About 4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide

4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide (PubChem CID 868760) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
PubChem CID868760
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1C(N)=O
InChIInChI=1S/C15H15N3O4S/c1-3-9-8(2)23-15(12(9)13(16)19)17-14(20)10-6-4-5-7-11(10)18(21)22/h4-7H,3H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyKTPYJHGRGUTOKZ-UHFFFAOYSA-N
XLogP2.88
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.88
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

2-[(4-chloro-2-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 1292949
ethyl 4-ethyl-5-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 3277702
4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide
CID 17168903
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
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
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
(6S)-6-methyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1021494
4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168908
ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 1222417

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide (CID 868760) is 4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide is CCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1C(N)=O.
What is the InChIKey of 4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is KTPYJHGRGUTOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-3-9-8(2)23-15(12(9)13(16)19)17-14(20)10-6-4-5-7-11(10)18(21)22/h4-7H,3H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide?
4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 868760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).