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

C20H24ClNO3S — CID 30390507

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1
InChIInChI=1S/C20H24ClNO3S/c1-4-19(26-18-11-5-15(21)6-12-18)20(23)22-14(2)13-25-17-9-7-16(24-3)8-10-17/h5-12,14,19H,4,13H2,1-3H3,(H,22,23)/t14-,19-/m0/s1
InChIKeyHBAWWSAMBZVRIN-LIRRHRJNSA-N
MW393.94 g/mol
LogP4.80
Rot. Bonds9

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

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide (PubChem CID 30390507) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
PubChem CID30390507
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1
InChIInChI=1S/C20H24ClNO3S/c1-4-19(26-18-11-5-15(21)6-12-18)20(23)22-14(2)13-25-17-9-7-16(24-3)8-10-17/h5-12,14,19H,4,13H2,1-3H3,(H,22,23)/t14-,19-/m0/s1
InChIKeyHBAWWSAMBZVRIN-LIRRHRJNSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide with MolForge

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390512
2-(4-chlorophenyl)sulfanyl-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132656771
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132651656
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92684645
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide
CID 30390941
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)butanamide
CID 92684483
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
CID 94019624
2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 43877185
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 46763249
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 93486492
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide (CID 30390507) is (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide is CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide?
The InChIKey is HBAWWSAMBZVRIN-LIRRHRJNSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c1-4-19(26-18-11-5-15(21)6-12-18)20(23)22-14(2)13-25-17-9-7-16(24-3)8-10-17/h5-12,14,19H,4,13H2,1-3H3,(H,22,23)/t14-,19-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide has a molecular weight of 393.94 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide is sourced from PubChem (CID 30390507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).