2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide

C20H24ClNO2S — CID 132656771

IUPAC2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NC(C)COc1ccccc1C
InChIInChI=1S/C20H24ClNO2S/c1-4-19(25-17-11-9-16(21)10-12-17)20(23)22-15(3)13-24-18-8-6-5-7-14(18)2/h5-12,15,19H,4,13H2,1-3H3,(H,22,23)
InChIKeyGZPBOZADSVQVBW-UHFFFAOYSA-N
MW377.94 g/mol
LogP5.10
Rot. Bonds8

About 2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide

2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide (PubChem CID 132656771) has the molecular formula C20H24ClNO2S and a molecular weight of 377.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
PubChem CID132656771
Molecular FormulaC20H24ClNO2S
Molecular Weight377.94 g/mol
Exact Mass377.12
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NC(C)COc1ccccc1C
InChIInChI=1S/C20H24ClNO2S/c1-4-19(25-17-11-9-16(21)10-12-17)20(23)22-15(3)13-24-18-8-6-5-7-14(18)2/h5-12,15,19H,4,13H2,1-3H3,(H,22,23)
InChIKeyGZPBOZADSVQVBW-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.94
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390512
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390507
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92684645
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132652224
4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 95161875
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651227
2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166098
2-(3-chlorophenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132652826
2-(2-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133166960
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
CID 28565969
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide
CID 95164068

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide (CID 132656771) is 2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)NC(C)COc1ccccc1C.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide?
The InChIKey is GZPBOZADSVQVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2S/c1-4-19(25-17-11-9-16(21)10-12-17)20(23)22-15(3)13-24-18-8-6-5-7-14(18)2/h5-12,15,19H,4,13H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide?
2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide has a molecular weight of 377.94 g/mol, XLogP of 5.10, 8 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-[1-(2-methylphenoxy)propan-2-yl]butanamide is sourced from PubChem (CID 132656771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).