(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide

C23H23ClN2O3S2 — CID 93487348

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C23H23ClN2O3S2/c1-3-22(30-20-12-6-17(24)7-13-20)23(27)25-18-10-14-21(15-11-18)31(28,29)26-19-8-4-16(2)5-9-19/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyQZPPPXICYYTNKO-JOCHJYFZSA-N
MW475.04 g/mol
LogP5.96
Rot. Bonds8

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide (PubChem CID 93487348) has the molecular formula C23H23ClN2O3S2 and a molecular weight of 475.04 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
PubChem CID93487348
Molecular FormulaC23H23ClN2O3S2
Molecular Weight475.04 g/mol
Exact Mass474.08
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C23H23ClN2O3S2/c1-3-22(30-20-12-6-17(24)7-13-20)23(27)25-18-10-14-21(15-11-18)31(28,29)26-19-8-4-16(2)5-9-19/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyQZPPPXICYYTNKO-JOCHJYFZSA-N
XLogP5.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 30386688
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 30392462
2-(4-chlorophenyl)sulfanyl-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]butanamide
CID 43905356
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 93486492
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 94018758
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 28573679
N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide
CID 25049215
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 94016494
2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide
CID 43876896
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[2-(4-methylphenyl)sulfanylbutanoylamino]benzoic acid
CID 23970288

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide (CID 93487348) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is QZPPPXICYYTNKO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23ClN2O3S2/c1-3-22(30-20-12-6-17(24)7-13-20)23(27)25-18-10-14-21(15-11-18)31(28,29)26-19-8-4-16(2)5-9-19/h4-15,22,26H,3H2,1-2H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 475.04 g/mol, XLogP of 5.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 93487348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).