2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide

C16H16ClNO2S — CID 60638329

IUPAC2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C16H16ClNO2S/c1-11(21-15-7-5-13(17)6-8-15)16(20)18-14-4-2-3-12(9-14)10-19/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyNMGCOTYBKJQKIC-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.95
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide (PubChem CID 60638329) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
PubChem CID60638329
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C16H16ClNO2S/c1-11(21-15-7-5-13(17)6-8-15)16(20)18-14-4-2-3-12(9-14)10-19/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyNMGCOTYBKJQKIC-UHFFFAOYSA-N
XLogP3.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
CID 78783827
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
3-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 23096466
4-tert-butyl-N-[3-[2-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]benzamide
CID 46778372
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
2-(4-chlorophenyl)sulfanyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide
CID 55703123
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344
N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide
CID 18902430
(2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide
CID 1208584

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide (CID 60638329) is 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1cccc(CO)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide?
The InChIKey is NMGCOTYBKJQKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11(21-15-7-5-13(17)6-8-15)16(20)18-14-4-2-3-12(9-14)10-19/h2-9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide has a molecular weight of 321.83 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 60638329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).