N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide

C17H21N3O5S2 — CID 2134216

IUPACN-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H21N3O5S2/c1-3-12-18-26(22,23)16-10-6-15(7-11-16)20-27(24,25)17-8-4-14(5-9-17)19-13(2)21/h4-11,18,20H,3,12H2,1-2H3,(H,19,21)
InChIKeyCUCRBGYCHJKIFM-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.13
Rot. Bonds8

About N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 2134216) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID2134216
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC NameN-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H21N3O5S2/c1-3-12-18-26(22,23)16-10-6-15(7-11-16)20-27(24,25)17-8-4-14(5-9-17)19-13(2)21/h4-11,18,20H,3,12H2,1-2H3,(H,19,21)
InChIKeyCUCRBGYCHJKIFM-UHFFFAOYSA-N
XLogP2.13
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17320825
N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide
CID 110408312
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[4-(propylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2987866
4-acetyl-N-propylbenzenesulfonamide
CID 2064043

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide (CID 2134216) is N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide is CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is CUCRBGYCHJKIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-3-12-18-26(22,23)16-10-6-15(7-11-16)20-27(24,25)17-8-4-14(5-9-17)19-13(2)21/h4-11,18,20H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 411.51 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2134216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).