2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

C14H20ClNO2S2 — CID 103801450

IUPAC2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCSC(CO)C(C)NC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S2/c1-9(13(8-17)19-3)16-14(18)10(2)20-12-6-4-11(15)5-7-12/h4-7,9-10,13,17H,8H2,1-3H3,(H,16,18)
InChIKeyHIVDRPUYDRHFQX-UHFFFAOYSA-N
MW333.91 g/mol
LogP3.05
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (PubChem CID 103801450) has the molecular formula C14H20ClNO2S2 and a molecular weight of 333.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
PubChem CID103801450
Molecular FormulaC14H20ClNO2S2
Molecular Weight333.91 g/mol
Exact Mass333.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCSC(CO)C(C)NC(=O)C(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S2/c1-9(13(8-17)19-3)16-14(18)10(2)20-12-6-4-11(15)5-7-12/h4-7,9-10,13,17H,8H2,1-3H3,(H,16,18)
InChIKeyHIVDRPUYDRHFQX-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.91
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide
CID 103801328
4-chloro-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798690
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-cyclopropylacetic acid
CID 62695742
2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60701143
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 103801385
4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methylbutanoic acid
CID 80538017
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107299870
2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethoxy)propanamide
CID 79676327

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (CID 103801450) is 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is CSC(CO)C(C)NC(=O)C(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is HIVDRPUYDRHFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S2/c1-9(13(8-17)19-3)16-14(18)10(2)20-12-6-4-11(15)5-7-12/h4-7,9-10,13,17H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide has a molecular weight of 333.91 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 103801450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).