2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide

C22H27ClN2O2S — CID 132665924

IUPAC2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C22H27ClN2O2S/c1-3-21(28-20-10-4-16(23)5-11-20)22(26)24-17-6-8-18(9-7-17)27-19-12-14-25(2)15-13-19/h4-11,19,21H,3,12-15H2,1-2H3,(H,24,26)
InChIKeyWAUMQBCQUXXAQK-UHFFFAOYSA-N
MW418.99 g/mol
LogP5.32
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide

2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide (PubChem CID 132665924) has the molecular formula C22H27ClN2O2S and a molecular weight of 418.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
PubChem CID132665924
Molecular FormulaC22H27ClN2O2S
Molecular Weight418.99 g/mol
Exact Mass418.15
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C22H27ClN2O2S/c1-3-21(28-20-10-4-16(23)5-11-20)22(26)24-17-6-8-18(9-7-17)27-19-12-14-25(2)15-13-19/h4-11,19,21H,3,12-15H2,1-2H3,(H,24,26)
InChIKeyWAUMQBCQUXXAQK-UHFFFAOYSA-N
XLogP5.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.99
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 132665241
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichlorophenyl)butanamide
CID 43905210
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 94028198
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 93486492
2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 43908024
(2S)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 30386688
(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972529
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 99952119
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 28631688
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide (CID 132665924) is 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide?
The InChIKey is WAUMQBCQUXXAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2S/c1-3-21(28-20-10-4-16(23)5-11-20)22(26)24-17-6-8-18(9-7-17)27-19-12-14-25(2)15-13-19/h4-11,19,21H,3,12-15H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide?
2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide has a molecular weight of 418.99 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide is sourced from PubChem (CID 132665924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).