2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide

C19H22ClNO2S — CID 55908762

IUPAC2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccccc1CNC(=O)C(C)Sc1ccccc1Cl
InChIInChI=1S/C19H22ClNO2S/c1-13(2)23-17-10-6-4-8-15(17)12-21-19(22)14(3)24-18-11-7-5-9-16(18)20/h4-11,13-14H,12H2,1-3H3,(H,21,22)
InChIKeyPUWRMHPZKOOLQT-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.92
Rot. Bonds7

About 2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide

2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 55908762) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID55908762
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccccc1CNC(=O)C(C)Sc1ccccc1Cl
InChIInChI=1S/C19H22ClNO2S/c1-13(2)23-17-10-6-4-8-15(17)12-21-19(22)14(3)24-18-11-7-5-9-16(18)20/h4-11,13-14H,12H2,1-3H3,(H,21,22)
InChIKeyPUWRMHPZKOOLQT-UHFFFAOYSA-N
XLogP4.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
N-(3-aminobutyl)-2-(2-chlorophenyl)sulfanylpropanamide
CID 119498900
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 6546874
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92676037
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331233
N-[(2-chlorophenyl)methyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108946630
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 51234035
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide (CID 55908762) is 2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide is CC(C)Oc1ccccc1CNC(=O)C(C)Sc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is PUWRMHPZKOOLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c1-13(2)23-17-10-6-4-8-15(17)12-21-19(22)14(3)24-18-11-7-5-9-16(18)20/h4-11,13-14H,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide?
2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 363.91 g/mol, XLogP of 4.92, 7 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-[(2-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 55908762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).