N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide

C20H24N2O4S — CID 113094228

IUPACN-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide
SMILESCC(=O)N(c1ccc(NS(=O)(=O)c2ccccc2C)cc1)C1CCOCC1
InChIInChI=1S/C20H24N2O4S/c1-15-5-3-4-6-20(15)27(24,25)21-17-7-9-18(10-8-17)22(16(2)23)19-11-13-26-14-12-19/h3-10,19,21H,11-14H2,1-2H3
InChIKeyRSFZPNQHQOYJBJ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.33
Rot. Bonds5

About N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide

N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide (PubChem CID 113094228) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide
PubChem CID113094228
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide
SMILESCC(=O)N(c1ccc(NS(=O)(=O)c2ccccc2C)cc1)C1CCOCC1
InChIInChI=1S/C20H24N2O4S/c1-15-5-3-4-6-20(15)27(24,25)21-17-7-9-18(10-8-17)22(16(2)23)19-11-13-26-14-12-19/h3-10,19,21H,11-14H2,1-2H3
InChIKeyRSFZPNQHQOYJBJ-UHFFFAOYSA-N
XLogP3.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide
CID 113094220
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)-2-phenylacetamide
CID 113094790
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
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-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
CID 112988408
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-cyclopropyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]acetamide
CID 113094117
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide
CID 113094176
sodium 4-[(2-methylphenyl)sulfonylamino]benzoate
CID 23687871
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide (CID 113094228) is N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide is CC(=O)N(c1ccc(NS(=O)(=O)c2ccccc2C)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide?
The InChIKey is RSFZPNQHQOYJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-5-3-4-6-20(15)27(24,25)21-17-7-9-18(10-8-17)22(16(2)23)19-11-13-26-14-12-19/h3-10,19,21H,11-14H2,1-2H3.
What are the key properties of N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide?
N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 113094228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).