N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide

C14H20N2O4S — CID 62996449

IUPACN-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide
SMILESNc1ccccc1NC(=O)CCS(=O)(=O)C1CCOCC1
InChIInChI=1S/C14H20N2O4S/c15-12-3-1-2-4-13(12)16-14(17)7-10-21(18,19)11-5-8-20-9-6-11/h1-4,11H,5-10,15H2,(H,16,17)
InChIKeyLJVWWGHEAYEEEL-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.19
Rot. Bonds5

About N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide

N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide (PubChem CID 62996449) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide
PubChem CID62996449
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide
SMILESNc1ccccc1NC(=O)CCS(=O)(=O)C1CCOCC1
InChIInChI=1S/C14H20N2O4S/c15-12-3-1-2-4-13(12)16-14(17)7-10-21(18,19)11-5-8-20-9-6-11/h1-4,11H,5-10,15H2,(H,16,17)
InChIKeyLJVWWGHEAYEEEL-UHFFFAOYSA-N
XLogP1.19
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63725564
2-[2-(3-cyclopentylsulfonylpropanoylamino)phenyl]acetic acid
CID 119218357
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
N-(2-amino-5-methoxyphenyl)-3-cyclopentylsulfonylpropanamide
CID 119421581
methyl 3-[3-(2-aminoanilino)-3-oxopropyl]sulfonylpropanoate
CID 43618100
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
CID 43443981
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429
2-(oxan-4-ylsulfonyl)aniline
CID 63936905

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide (CID 62996449) is N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide is Nc1ccccc1NC(=O)CCS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide?
The InChIKey is LJVWWGHEAYEEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c15-12-3-1-2-4-13(12)16-14(17)7-10-21(18,19)11-5-8-20-9-6-11/h1-4,11H,5-10,15H2,(H,16,17).
What are the key properties of N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide?
N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 312.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 62996449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).