2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide

C18H21ClN2OS — CID 132652946

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C18H21ClN2OS/c1-14(23-17-10-8-15(19)9-11-17)18(22)20-12-13-21(2)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyWPPYEQYNMXTGNV-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.07
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide (PubChem CID 132652946) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide
PubChem CID132652946
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C18H21ClN2OS/c1-14(23-17-10-8-15(19)9-11-17)18(22)20-12-13-21(2)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyWPPYEQYNMXTGNV-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
4-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methylbutanoic acid
CID 80538017
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
2-(4-chlorophenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107299870
3-[2-(4-chlorophenyl)sulfanylpropanoylamino]-2-methoxypropanoic acid
CID 106107383
2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide
CID 43168069
2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide
CID 55447419
N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide
CID 47111890
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540065

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide (CID 132652946) is 2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide is CC(Sc1ccc(Cl)cc1)C(=O)NCCN(C)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide?
The InChIKey is WPPYEQYNMXTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-14(23-17-10-8-15(19)9-11-17)18(22)20-12-13-21(2)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide has a molecular weight of 348.90 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide is sourced from PubChem (CID 132652946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).