N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide

C15H15N3O4S — CID 7520874

IUPACN,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C)c1C
InChIInChI=1S/C15H15N3O4S/c1-8-9(2)23-15(12(8)14(20)16-3)17-13(19)10-5-4-6-11(7-10)18(21)22/h4-7H,1-3H3,(H,16,20)(H,17,19)
InChIKeyGUUDJFIPPFRSKU-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.89
Rot. Bonds4

About N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide

N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide (PubChem CID 7520874) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
PubChem CID7520874
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C)c1C
InChIInChI=1S/C15H15N3O4S/c1-8-9(2)23-15(12(8)14(20)16-3)17-13(19)10-5-4-6-11(7-10)18(21)22/h4-7H,1-3H3,(H,16,20)(H,17,19)
InChIKeyGUUDJFIPPFRSKU-UHFFFAOYSA-N
XLogP2.89
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.89
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-(3-cyano-4,5-dimethylthiophen-2-yl)-3-nitrobenzamide
CID 4179547
N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
CID 7520896
N-(3-methylthiophen-2-yl)-3-nitrobenzamide
CID 19689915
N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide
CID 7520924
4-O-ethyl 2-O-methyl 3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
CID 23822165
4-methyl-2-[(3-nitrobenzoyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylic acid
CID 22301158
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
5-benzyl-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 3418422
methyl 3-(methylcarbamoyl)-2-[(3-nitrobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 16823458
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7287220
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
methyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 4054472

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide (CID 7520874) is N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide is CNC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C)c1C.
What is the InChIKey of N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is GUUDJFIPPFRSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-8-9(2)23-15(12(8)14(20)16-3)17-13(19)10-5-4-6-11(7-10)18(21)22/h4-7H,1-3H3,(H,16,20)(H,17,19).
What are the key properties of N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide?
N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 7520874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).