5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide

C15H16ClNO2S — CID 24658856

IUPAC5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
SMILESCOCC(C)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H16ClNO2S/c1-10(9-19-2)17-15(18)14-8-7-13(20-14)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyIANVMDNIRZWYJE-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.83
Rot. Bonds5

About 5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide

5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide (PubChem CID 24658856) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
PubChem CID24658856
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
SMILESCOCC(C)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H16ClNO2S/c1-10(9-19-2)17-15(18)14-8-7-13(20-14)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyIANVMDNIRZWYJE-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 8942013
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 92762194
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 8563050
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 18145657
4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 30481509
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 5176573
1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2410323
methyl (E)-3-[5-(4-chlorophenyl)thiophen-2-yl]but-2-enoate
CID 82543525
4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
CID 40897930

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide (CID 24658856) is 5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide is COCC(C)NC(=O)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide?
The InChIKey is IANVMDNIRZWYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10(9-19-2)17-15(18)14-8-7-13(20-14)11-3-5-12(16)6-4-11/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 24658856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).