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

C18H22N2O3S — CID 669165

IUPACN-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(2)20(13-16-7-5-4-6-8-16)24(22,23)18-11-9-17(10-12-18)19-15(3)21/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyZMMXAQZVRTZPKF-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.24
Rot. Bonds6

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

N-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 669165) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID669165
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(2)20(13-16-7-5-4-6-8-16)24(22,23)18-11-9-17(10-12-18)19-15(3)21/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyZMMXAQZVRTZPKF-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide (CID 669165) is N-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is ZMMXAQZVRTZPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(2)20(13-16-7-5-4-6-8-16)24(22,23)18-11-9-17(10-12-18)19-15(3)21/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(propan-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 669165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).