N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide

C14H14ClNOS — CID 4820268

IUPACN-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H14ClNOS/c15-11-4-1-5-12(10-11)16-14(17)8-2-6-13-7-3-9-18-13/h1,3-5,7,9-10H,2,6,8H2,(H,16,17)
InChIKeyNOWVBBHFIWUOOM-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.36
Rot. Bonds5

About N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide

N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide (PubChem CID 4820268) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
PubChem CID4820268
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC NameN-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H14ClNOS/c15-11-4-1-5-12(10-11)16-14(17)8-2-6-13-7-3-9-18-13/h1,3-5,7,9-10H,2,6,8H2,(H,16,17)
InChIKeyNOWVBBHFIWUOOM-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 82862241
N-dibenzofuran-2-yl-4-thiophen-2-ylbutanamide
CID 16552293
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 131916019
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
N-(3-chlorophenyl)-3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55534026
(2S)-2-[[3-(4-thiophen-2-ylbutanoylamino)benzoyl]amino]propanoic acid
CID 119238490

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide (CID 4820268) is N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide?
The InChIKey is NOWVBBHFIWUOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c15-11-4-1-5-12(10-11)16-14(17)8-2-6-13-7-3-9-18-13/h1,3-5,7,9-10H,2,6,8H2,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide?
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide has a molecular weight of 279.79 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 4820268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).