N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide

C19H22N2O4S2 — CID 25049215

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide
SMILESCCC(Sc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C19H22N2O4S2/c1-4-18(26-16-9-5-13(2)6-10-16)19(23)20-15-7-11-17(12-8-15)27(24,25)21-14(3)22/h5-12,18H,4H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWFBHDDAQBKXHQP-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.33
Rot. Bonds7

About N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide

N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide (PubChem CID 25049215) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide
PubChem CID25049215
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide
SMILESCCC(Sc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
InChIInChI=1S/C19H22N2O4S2/c1-4-18(26-16-9-5-13(2)6-10-16)19(23)20-15-7-11-17(12-8-15)27(24,25)21-14(3)22/h5-12,18H,4H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWFBHDDAQBKXHQP-UHFFFAOYSA-N
XLogP3.33
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 93487348
4-[2-(4-methylphenyl)sulfanylbutanoylamino]benzoic acid
CID 23970288
(2S)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 30386688
N-[4-(acetylsulfamoyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 25034831
N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide
CID 63582470
(2R)-N-[4-(acetylsulfamoyl)phenyl]-2-bromobutanamide
CID 95970135
(2R)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 94018758
(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
N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 25034802
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]butanamide
CID 93486492
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide (CID 25049215) is N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide is CCC(Sc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide?
The InChIKey is WFBHDDAQBKXHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-4-18(26-16-9-5-13(2)6-10-16)19(23)20-15-7-11-17(12-8-15)27(24,25)21-14(3)22/h5-12,18H,4H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide?
N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide has a molecular weight of 406.53 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfanylbutanamide is sourced from PubChem (CID 25049215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).