(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide

C17H17Cl2NOS2 — CID 2279323

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NOS2/c1-12(23-16-8-4-14(19)5-9-16)17(21)20-10-11-22-15-6-2-13(18)3-7-15/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyIMCIWGGRSLLYMS-LBPRGKRZSA-N
MW386.37 g/mol
LogP5.38
Rot. Bonds7

About (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide

(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide (PubChem CID 2279323) has the molecular formula C17H17Cl2NOS2 and a molecular weight of 386.37 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
PubChem CID2279323
Molecular FormulaC17H17Cl2NOS2
Molecular Weight386.37 g/mol
Exact Mass385.01
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NOS2/c1-12(23-16-8-4-14(19)5-9-16)17(21)20-10-11-22-15-6-2-13(18)3-7-15/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyIMCIWGGRSLLYMS-LBPRGKRZSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methylbutanoic acid
CID 80538017
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107299870
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 99999958
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
(2S)-2-acetamido-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylbutanamide
CID 9259022
(2R)-2-acetamido-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylbutanamide
CID 9259028
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]butanamide
CID 119691377

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide (CID 2279323) is (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide is C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
The InChIKey is IMCIWGGRSLLYMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17Cl2NOS2/c1-12(23-16-8-4-14(19)5-9-16)17(21)20-10-11-22-15-6-2-13(18)3-7-15/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide has a molecular weight of 386.37 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide is sourced from PubChem (CID 2279323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).