N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide

C19H22N2O4S — CID 113094220

IUPACN-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide
SMILESCC(=O)N(c1ccc(NS(=O)(=O)c2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-15(22)21(18-11-13-25-14-12-18)17-9-7-16(8-10-17)20-26(23,24)19-5-3-2-4-6-19/h2-10,18,20H,11-14H2,1H3
InChIKeyNUVLIQOAFMTEQQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.02
Rot. Bonds5

About N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide

N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide (PubChem CID 113094220) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide
PubChem CID113094220
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide
SMILESCC(=O)N(c1ccc(NS(=O)(=O)c2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-15(22)21(18-11-13-25-14-12-18)17-9-7-16(8-10-17)20-26(23,24)19-5-3-2-4-6-19/h2-10,18,20H,11-14H2,1H3
InChIKeyNUVLIQOAFMTEQQ-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide
CID 113094228
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)-2-phenylacetamide
CID 113094790
N-cyclopropyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]acetamide
CID 113094117
N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide
CID 113094139
N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
CID 113094156
N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide
CID 113094770
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241
N-cyclopropyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 113094143
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide
CID 113094176
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide (CID 113094220) is N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide is CC(=O)N(c1ccc(NS(=O)(=O)c2ccccc2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide?
The InChIKey is NUVLIQOAFMTEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15(22)21(18-11-13-25-14-12-18)17-9-7-16(8-10-17)20-26(23,24)19-5-3-2-4-6-19/h2-10,18,20H,11-14H2,1H3.
What are the key properties of N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide?
N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide has a molecular weight of 374.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 113094220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).