3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide

C14H14ClNOS — CID 91624486

IUPAC3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCc1ccsc1
InChIInChI=1S/C14H14ClNOS/c15-13-3-1-2-11(8-13)4-5-14(17)16-9-12-6-7-18-10-12/h1-3,6-8,10H,4-5,9H2,(H,16,17)
InChIKeyBHBWEJXZLTWRLA-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.65
Rot. Bonds5

About 3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide

3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 91624486) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
PubChem CID91624486
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCc1ccsc1
InChIInChI=1S/C14H14ClNOS/c15-13-3-1-2-11(8-13)4-5-14(17)16-9-12-6-7-18-10-12/h1-3,6-8,10H,4-5,9H2,(H,16,17)
InChIKeyBHBWEJXZLTWRLA-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
benzyl 2-[3-(3-chlorophenyl)propanoylamino]acetate
CID 51280706
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(3-chlorophenyl)propanamide
CID 121179489
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925838
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
4-chloro-N-[(3-chlorophenyl)methyl]butanamide
CID 17071148
3-(3-chlorophenyl)-N-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 129354627
3-(3-chlorophenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 119104237
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide (CID 91624486) is 3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide is O=C(CCc1cccc(Cl)c1)NCc1ccsc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is BHBWEJXZLTWRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c15-13-3-1-2-11(8-13)4-5-14(17)16-9-12-6-7-18-10-12/h1-3,6-8,10H,4-5,9H2,(H,16,17).
What are the key properties of 3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide?
3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 279.79 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 91624486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).