2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide

C12H16ClNOS — CID 875637

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNOS/c1-9(2)7-14-12(15)8-16-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyARHUZNNDUYQQEO-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.20
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide (PubChem CID 875637) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
PubChem CID875637
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNOS/c1-9(2)7-14-12(15)8-16-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyARHUZNNDUYQQEO-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653854
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 2194290
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110888960
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119628554
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7907076
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide (CID 875637) is 2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide?
The InChIKey is ARHUZNNDUYQQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-9(2)7-14-12(15)8-16-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide has a molecular weight of 257.79 g/mol, XLogP of 3.20, 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-methylpropyl)acetamide is sourced from PubChem (CID 875637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).