(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide

C18H20ClNOS — CID 26294213

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNOS/c1-12(2)16-6-4-5-7-17(16)20-18(21)13(3)22-15-10-8-14(19)9-11-15/h4-13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyXSUOIUAOVWCCHX-CYBMUJFWSA-N
MW333.88 g/mol
LogP5.58
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 26294213) has the molecular formula C18H20ClNOS and a molecular weight of 333.88 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
PubChem CID26294213
Molecular FormulaC18H20ClNOS
Molecular Weight333.88 g/mol
Exact Mass333.10
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNOS/c1-12(2)16-6-4-5-7-17(16)20-18(21)13(3)22-15-10-8-14(19)9-11-15/h4-13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyXSUOIUAOVWCCHX-CYBMUJFWSA-N
XLogP5.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.88
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 8948623
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
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2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide
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2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
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2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2194523
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
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(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
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(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide (CID 26294213) is (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is XSUOIUAOVWCCHX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClNOS/c1-12(2)16-6-4-5-7-17(16)20-18(21)13(3)22-15-10-8-14(19)9-11-15/h4-13H,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 333.88 g/mol, XLogP of 5.58, 5 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-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 26294213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).