2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide

C24H25ClN2O5S2 — CID 43876896

IUPAC2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C24H25ClN2O5S2/c1-4-23(33-19-10-5-16(25)6-11-19)24(28)26-17-7-12-20(13-8-17)34(29,30)27-21-15-18(31-2)9-14-22(21)32-3/h5-15,23,27H,4H2,1-3H3,(H,26,28)
InChIKeyMTDQMEIILVPXEB-UHFFFAOYSA-N
MW521.06 g/mol
LogP5.67
Rot. Bonds10

About 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide

2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide (PubChem CID 43876896) has the molecular formula C24H25ClN2O5S2 and a molecular weight of 521.06 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide
PubChem CID43876896
Molecular FormulaC24H25ClN2O5S2
Molecular Weight521.06 g/mol
Exact Mass520.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C24H25ClN2O5S2/c1-4-23(33-19-10-5-16(25)6-11-19)24(28)26-17-7-12-20(13-8-17)34(29,30)27-21-15-18(31-2)9-14-22(21)32-3/h5-15,23,27H,4H2,1-3H3,(H,26,28)
InChIKeyMTDQMEIILVPXEB-UHFFFAOYSA-N
XLogP5.67
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.06
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide with MolForge

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 93486492
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)butanamide
CID 30390941
(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
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 94018758
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 93487348
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)butanamide
CID 92684483
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 28631688
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 21335908
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 43876669
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 28573679

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide (CID 43876896) is 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide?
The InChIKey is MTDQMEIILVPXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S2/c1-4-23(33-19-10-5-16(25)6-11-19)24(28)26-17-7-12-20(13-8-17)34(29,30)27-21-15-18(31-2)9-14-22(21)32-3/h5-15,23,27H,4H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide?
2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide has a molecular weight of 521.06 g/mol, XLogP of 5.67, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 43876896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).