N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide

C22H29ClN2O3S — CID 17311776

IUPACN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H29ClN2O3S/c1-16(2)14-25(15-17(3)4)29(27,28)21-11-9-20(10-12-21)24-22(26)13-18-5-7-19(23)8-6-18/h5-12,16-17H,13-15H2,1-4H3,(H,24,26)
InChIKeyWKKJWXHBCOBLIH-UHFFFAOYSA-N
MW437.01 g/mol
LogP4.82
Rot. Bonds9

About N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide (PubChem CID 17311776) has the molecular formula C22H29ClN2O3S and a molecular weight of 437.01 g/mol. Its IUPAC name is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
PubChem CID17311776
Molecular FormulaC22H29ClN2O3S
Molecular Weight437.01 g/mol
Exact Mass436.16
IUPAC NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H29ClN2O3S/c1-16(2)14-25(15-17(3)4)29(27,28)21-11-9-20(10-12-21)24-22(26)13-18-5-7-19(23)8-6-18/h5-12,16-17H,13-15H2,1-4H3,(H,24,26)
InChIKeyWKKJWXHBCOBLIH-UHFFFAOYSA-N
XLogP4.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.01
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
CID 17311686
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
ethyl 2-[4-[[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]amino]phenyl]acetate
CID 100795929
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide
CID 17311636
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 17311380
2-(4-chlorophenyl)-N-[4-(2-methylpropylamino)phenyl]acetamide
CID 112980356
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide
CID 17312270
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 2224277

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide (CID 17311776) is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is WKKJWXHBCOBLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O3S/c1-16(2)14-25(15-17(3)4)29(27,28)21-11-9-20(10-12-21)24-22(26)13-18-5-7-19(23)8-6-18/h5-12,16-17H,13-15H2,1-4H3,(H,24,26).
What are the key properties of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide?
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 437.01 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 17311776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).