(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide

C12H14ClNOS — CID 883001

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CC1
InChIInChI=1S/C12H14ClNOS/c1-8(12(15)14-10-4-5-10)16-11-6-2-9(13)3-7-11/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyCGMLWEIWPBVFFT-MRVPVSSYSA-N
MW255.77 g/mol
LogP3.10
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide (PubChem CID 883001) has the molecular formula C12H14ClNOS and a molecular weight of 255.77 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
PubChem CID883001
Molecular FormulaC12H14ClNOS
Molecular Weight255.77 g/mol
Exact Mass255.05
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CC1
InChIInChI=1S/C12H14ClNOS/c1-8(12(15)14-10-4-5-10)16-11-6-2-9(13)3-7-11/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyCGMLWEIWPBVFFT-MRVPVSSYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 18163880
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
2-(4-chlorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 51073679
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 7816533
N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 113371986
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 98209551
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-cyclopropylacetic acid
CID 62695742
N-[2-(aminomethyl)cyclohexyl]-2-(4-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119609657
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119474521
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide (CID 883001) is (2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide is C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CC1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide?
The InChIKey is CGMLWEIWPBVFFT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClNOS/c1-8(12(15)14-10-4-5-10)16-11-6-2-9(13)3-7-11/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide has a molecular weight of 255.77 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide is sourced from PubChem (CID 883001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).