2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide

C20H24ClNO4S — CID 132663545

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24ClNO4S/c1-5-18(27-15-8-6-14(21)7-9-15)20(23)22-12-13-10-16(24-2)19(26-4)17(11-13)25-3/h6-11,18H,5,12H2,1-4H3,(H,22,23)
InChIKeyRRVREPJDAZUBFE-UHFFFAOYSA-N
MW409.94 g/mol
LogP4.55
Rot. Bonds9

About 2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide

2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide (PubChem CID 132663545) has the molecular formula C20H24ClNO4S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
PubChem CID132663545
Molecular FormulaC20H24ClNO4S
Molecular Weight409.94 g/mol
Exact Mass409.11
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24ClNO4S/c1-5-18(27-15-8-6-14(21)7-9-15)20(23)22-12-13-10-16(24-2)19(26-4)17(11-13)25-3/h6-11,18H,5,12H2,1-4H3,(H,22,23)
InChIKeyRRVREPJDAZUBFE-UHFFFAOYSA-N
XLogP4.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
CID 94019624
3-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483295
2-(4-chlorophenyl)sulfanyl-N-[[4-(diethylamino)phenyl]methyl]butanamide
CID 133199616
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 28631688
(2S)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546648
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546639
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide
CID 30390941
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)butanamide
CID 92684483
2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 55669732
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 28571529
N-benzyl-2-phenylsulfanylbutanamide
CID 86913040
(2R)-2-(4-chlorophenyl)sulfanyl-N-propan-2-ylbutanamide
CID 30392493

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide (CID 132663545) is 2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The InChIKey is RRVREPJDAZUBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4S/c1-5-18(27-15-8-6-14(21)7-9-15)20(23)22-12-13-10-16(24-2)19(26-4)17(11-13)25-3/h6-11,18H,5,12H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide has a molecular weight of 409.94 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 132663545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).