N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide

C17H21N3O3S — CID 112979916

IUPACN-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)cc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-12(2)18-14-4-6-16(7-5-14)20-24(22,23)17-10-8-15(9-11-17)19-13(3)21/h4-12,18,20H,1-3H3,(H,19,21)
InChIKeyNUEBLFBORUTMDJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.27
Rot. Bonds6

About N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 112979916) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID112979916
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)cc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-12(2)18-14-4-6-16(7-5-14)20-24(22,23)17-10-8-15(9-11-17)19-13(3)21/h4-12,18,20H,1-3H3,(H,19,21)
InChIKeyNUEBLFBORUTMDJ-UHFFFAOYSA-N
XLogP3.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2454469
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
CID 5193248
N-[4-[[4-(N-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986157
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
CID 17341594

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide (CID 112979916) is N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NC(C)C)cc2)cc1.
What is the InChIKey of N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is NUEBLFBORUTMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(2)18-14-4-6-16(7-5-14)20-24(22,23)17-10-8-15(9-11-17)19-13(3)21/h4-12,18,20H,1-3H3,(H,19,21).
What are the key properties of N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 112979916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).