5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide

C16H18N2O2S — CID 24670328

IUPAC5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccccc2C(=O)NC)cc1C
InChIInChI=1S/C16H18N2O2S/c1-4-13-10(2)9-14(21-13)16(20)18-12-8-6-5-7-11(12)15(19)17-3/h5-9H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyROTQYYUAWBPTLG-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.23
Rot. Bonds4

About 5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide

5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 24670328) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID24670328
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2ccccc2C(=O)NC)cc1C
InChIInChI=1S/C16H18N2O2S/c1-4-13-10(2)9-14(21-13)16(20)18-12-8-6-5-7-11(12)15(19)17-3/h5-9H,4H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyROTQYYUAWBPTLG-UHFFFAOYSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate
CID 43403969
N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4820666
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826737
5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877
3-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264822
4-ethyl-N-(2-methylphenyl)-5-propylthiophene-2-carboxamide
CID 26914221
5-ethyl-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 61393539
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63190005
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-2-oxo-1H-quinoline-3-carbohydrazide
CID 24619949
N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 27228669

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 24670328) is 5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide is CCc1sc(C(=O)Nc2ccccc2C(=O)NC)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is ROTQYYUAWBPTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-4-13-10(2)9-14(21-13)16(20)18-12-8-6-5-7-11(12)15(19)17-3/h5-9H,4H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[2-(methylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24670328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).