N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide

C14H14ClNOS — CID 46587498

IUPACN-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
SMILESCCC(NC(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNOS/c1-2-12(10-5-3-6-11(15)9-10)16-14(17)13-7-4-8-18-13/h3-9,12H,2H2,1H3,(H,16,17)
InChIKeyOXHSSCNICVEOTC-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide

N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide (PubChem CID 46587498) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
PubChem CID46587498
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC NameN-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
SMILESCCC(NC(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C14H14ClNOS/c1-2-12(10-5-3-6-11(15)9-10)16-14(17)13-7-4-8-18-13/h3-9,12H,2H2,1H3,(H,16,17)
InChIKeyOXHSSCNICVEOTC-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide
CID 100620479
2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
CID 79796813
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792897
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
CID 63110061
3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide (CID 46587498) is N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide is CCC(NC(=O)c1cccs1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide?
The InChIKey is OXHSSCNICVEOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-2-12(10-5-3-6-11(15)9-10)16-14(17)13-7-4-8-18-13/h3-9,12H,2H2,1H3,(H,16,17).
What are the key properties of N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide?
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide has a molecular weight of 279.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 46587498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).