2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide

C17H18ClNOS — CID 802169

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNOS/c1-12(2)15-5-3-4-6-16(15)19-17(20)11-21-14-9-7-13(18)8-10-14/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyRKPXSGQIGVJDIH-UHFFFAOYSA-N
MW319.86 g/mol
LogP5.19
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 802169) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
PubChem CID802169
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNOS/c1-12(2)15-5-3-4-6-16(15)19-17(20)11-21-14-9-7-13(18)8-10-14/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyRKPXSGQIGVJDIH-UHFFFAOYSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.86
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 889834
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 1289343
2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
CID 126186398
2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 2352126
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 2959939
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 66103390
2-(2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 26507373
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide (CID 802169) is 2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is RKPXSGQIGVJDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-12(2)15-5-3-4-6-16(15)19-17(20)11-21-14-9-7-13(18)8-10-14/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 319.86 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 802169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).