4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide

C17H20N2O3S — CID 9270687

IUPAC4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CC
InChIInChI=1S/C17H20N2O3S/c1-4-7-15-12(5-2)10-16(23-15)17(20)18-13-8-6-9-14(11(13)3)19(21)22/h6,8-10H,4-5,7H2,1-3H3,(H,18,20)
InChIKeyADHGEANPKFBWML-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.73
Rot. Bonds6

About 4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide

4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide (PubChem CID 9270687) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide
PubChem CID9270687
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CC
InChIInChI=1S/C17H20N2O3S/c1-4-7-15-12(5-2)10-16(23-15)17(20)18-13-8-6-9-14(11(13)3)19(21)22/h6,8-10H,4-5,7H2,1-3H3,(H,18,20)
InChIKeyADHGEANPKFBWML-UHFFFAOYSA-N
XLogP4.73
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-(2-methylphenyl)-5-propylthiophene-2-carboxamide
CID 26914221
2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689269
5-bromo-N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 1245199
N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 675560
4-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]-5-propylthiophene-2-carboxamide
CID 112819464
N-(2-methyl-3-nitrophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26737790
3-methyl-N-(2-methyl-3-nitrophenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 9395800
N-[2-(ethylaminomethyl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 119439963
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide
CID 42088350
N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 46261424
4-(ethylsulfanylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60528428

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide (CID 9270687) is 4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CC.
What is the InChIKey of 4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide?
The InChIKey is ADHGEANPKFBWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-7-15-12(5-2)10-16(23-15)17(20)18-13-8-6-9-14(11(13)3)19(21)22/h6,8-10H,4-5,7H2,1-3H3,(H,18,20).
What are the key properties of 4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide?
4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 9270687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).