2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide

C18H21ClN2OS — CID 26554097

IUPAC2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)CSc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2OS/c1-21(15-8-3-2-4-9-15)13-7-12-20-18(22)14-23-17-11-6-5-10-16(17)19/h2-6,8-11H,7,12-14H2,1H3,(H,20,22)
InChIKeyOTLXQUVRAMIOCV-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.07
Rot. Bonds8

About 2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide

2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide (PubChem CID 26554097) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
PubChem CID26554097
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)CSc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2OS/c1-21(15-8-3-2-4-9-15)13-7-12-20-18(22)14-23-17-11-6-5-10-16(17)19/h2-6,8-11H,7,12-14H2,1H3,(H,20,22)
InChIKeyOTLXQUVRAMIOCV-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.07
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-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923
2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 40689481
N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119383840
2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862035
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide
CID 37315858
3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide
CID 60566492
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 99996150
3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide
CID 100597497

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide (CID 26554097) is 2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide is CN(CCCNC(=O)CSc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
The InChIKey is OTLXQUVRAMIOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-21(15-8-3-2-4-9-15)13-7-12-20-18(22)14-23-17-11-6-5-10-16(17)19/h2-6,8-11H,7,12-14H2,1H3,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide has a molecular weight of 348.90 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 26554097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).