2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide

C18H21ClN2OS — CID 55447419

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCN(CCNC(=O)CSCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H21ClN2OS/c1-21(17-5-3-2-4-6-17)12-11-20-18(22)14-23-13-15-7-9-16(19)10-8-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyGGTJKUUAFNPNMX-UHFFFAOYSA-N
MW348.90 g/mol
LogP3.83
Rot. Bonds8

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide (PubChem CID 55447419) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide
PubChem CID55447419
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCN(CCNC(=O)CSCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H21ClN2OS/c1-21(17-5-3-2-4-6-17)12-11-20-18(22)14-23-13-15-7-9-16(19)10-8-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyGGTJKUUAFNPNMX-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide
CID 132652946
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 94476681
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]acetate
CID 8552014
N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 110664507
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide
CID 115637013
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 26554097
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 61261362
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide (CID 55447419) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide is CN(CCNC(=O)CSCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide?
The InChIKey is GGTJKUUAFNPNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-21(17-5-3-2-4-6-17)12-11-20-18(22)14-23-13-15-7-9-16(19)10-8-15/h2-10H,11-14H2,1H3,(H,20,22).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide has a molecular weight of 348.90 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide is sourced from PubChem (CID 55447419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).