(2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide

C20H24ClNO3S — CID 28571529

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24ClNO3S/c1-5-19(26-16-9-7-15(21)8-10-16)20(23)22(2)13-14-6-11-17(24-3)18(12-14)25-4/h6-12,19H,5,13H2,1-4H3/t19-/m1/s1
InChIKeyRNYOZCZVEPEZCR-LJQANCHMSA-N
MW393.94 g/mol
LogP4.89
Rot. Bonds8

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 28571529) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
PubChem CID28571529
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H24ClNO3S/c1-5-19(26-16-9-7-15(21)8-10-16)20(23)22(2)13-14-6-11-17(24-3)18(12-14)25-4/h6-12,19H,5,13H2,1-4H3/t19-/m1/s1
InChIKeyRNYOZCZVEPEZCR-LJQANCHMSA-N
XLogP4.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide
CID 92683572
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 132663545
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide
CID 4882099
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 28631688
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanyl-N-methylbutanamide
CID 132670701

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide (CID 28571529) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is RNYOZCZVEPEZCR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c1-5-19(26-16-9-7-15(21)8-10-16)20(23)22(2)13-14-6-11-17(24-3)18(12-14)25-4/h6-12,19H,5,13H2,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 393.94 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 28571529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).