N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide

C15H22N2O4S — CID 113094770

IUPACN-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(c1ccc(NS(C)(=O)=O)cc1)C1CCOCC1
InChIInChI=1S/C15H22N2O4S/c1-3-15(18)17(14-8-10-21-11-9-14)13-6-4-12(5-7-13)16-22(2,19)20/h4-7,14,16H,3,8-11H2,1-2H3
InChIKeyIDZJYGVHHBIGFY-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.98
Rot. Bonds5

About N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide

N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide (PubChem CID 113094770) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide
PubChem CID113094770
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(c1ccc(NS(C)(=O)=O)cc1)C1CCOCC1
InChIInChI=1S/C15H22N2O4S/c1-3-15(18)17(14-8-10-21-11-9-14)13-6-4-12(5-7-13)16-22(2,19)20/h4-7,14,16H,3,8-11H2,1-2H3
InChIKeyIDZJYGVHHBIGFY-UHFFFAOYSA-N
XLogP1.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)-2-phenylacetamide
CID 113094790
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]oxolane-2-carboxamide
CID 113094693
N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide
CID 113094220
N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide
CID 113094228
N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide
CID 62907557
4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide
CID 113094726
N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
CID 113094156
3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-(oxan-4-yl)-1-phenylurea
CID 142688676
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]propane-1-sulfonamide
CID 113094750
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
CID 113094432
N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide
CID 113094703
1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-3-(oxan-4-yl)-1-phenylurea
CID 66814164

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide (CID 113094770) is N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide is CCC(=O)N(c1ccc(NS(C)(=O)=O)cc1)C1CCOCC1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide?
The InChIKey is IDZJYGVHHBIGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-15(18)17(14-8-10-21-11-9-14)13-6-4-12(5-7-13)16-22(2,19)20/h4-7,14,16H,3,8-11H2,1-2H3.
What are the key properties of N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide?
N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide has a molecular weight of 326.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 113094770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).