N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide

C19H22N2O4S — CID 113094445

IUPACN-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide
SMILESCS(=O)(=O)N(c1ccc(NC(=O)c2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)21(18-11-13-25-14-12-18)17-9-7-16(8-10-17)20-19(22)15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,20,22)
InChIKeyRXXNUODWXLADQD-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.88
Rot. Bonds5

About N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide

N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide (PubChem CID 113094445) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide
PubChem CID113094445
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide
SMILESCS(=O)(=O)N(c1ccc(NC(=O)c2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)21(18-11-13-25-14-12-18)17-9-7-16(8-10-17)20-19(22)15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,20,22)
InChIKeyRXXNUODWXLADQD-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094359
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
CID 113094432
1-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]-3-propan-2-ylurea
CID 113094462
3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094370
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
N-[4-[(4-methylphenyl)sulfonyl-(oxan-4-yl)amino]phenyl]acetamide
CID 113095248
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide
CID 113094193
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide
CID 113094176
N'-(oxan-4-yl)-N'-propylbenzohydrazide
CID 140641753
cyclopentanesulfonamide;N-phenylbenzamide
CID 174727310

Frequently Asked Questions

What is the IUPAC name of N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide?
The IUPAC name of N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide (CID 113094445) is N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide is CS(=O)(=O)N(c1ccc(NC(=O)c2ccccc2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide?
The InChIKey is RXXNUODWXLADQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-26(23,24)21(18-11-13-25-14-12-18)17-9-7-16(8-10-17)20-19(22)15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,20,22).
What are the key properties of N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide?
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 113094445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).