2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide

C11H15ClN2OS — CID 119272218

IUPAC2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
SMILESCC(N)C(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2OS/c1-8(13)11(15)14-6-7-16-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyDPWZTYIREIDOSO-UHFFFAOYSA-N
MW258.77 g/mol
LogP1.90
Rot. Bonds5

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

2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide (PubChem CID 119272218) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
PubChem CID119272218
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
SMILESCC(N)C(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2OS/c1-8(13)11(15)14-6-7-16-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H,14,15)
InChIKeyDPWZTYIREIDOSO-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]butanamide
CID 119691377
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride
CID 120559309
(2R)-2-acetamido-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylbutanamide
CID 9259028
(2S)-2-acetamido-N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylbutanamide
CID 9259022
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide
CID 21173333
N-[2-(4-chlorophenyl)sulfanylethyl]-2-pyrazol-1-ylpropanamide
CID 134048678
2-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide;hydrochloride
CID 119268290
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454087
(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide
CID 18631474

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
The IUPAC name of 2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide (CID 119272218) is 2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide is CC(N)C(=O)NCCSc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
The InChIKey is DPWZTYIREIDOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-8(13)11(15)14-6-7-16-10-4-2-9(12)3-5-10/h2-5,8H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide?
2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide has a molecular weight of 258.77 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide is sourced from PubChem (CID 119272218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).