2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

C14H20N2O4S — CID 112991400

IUPAC2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1S(=O)(=O)NCC(=O)NCC1CCCO1
InChIInChI=1S/C14H20N2O4S/c1-11-5-2-3-7-13(11)21(18,19)16-10-14(17)15-9-12-6-4-8-20-12/h2-3,5,7,12,16H,4,6,8-10H2,1H3,(H,15,17)
InChIKeyPVRHXOBFHLXENF-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.57
Rot. Bonds6

About 2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 112991400) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID112991400
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1S(=O)(=O)NCC(=O)NCC1CCCO1
InChIInChI=1S/C14H20N2O4S/c1-11-5-2-3-7-13(11)21(18,19)16-10-14(17)15-9-12-6-4-8-20-12/h2-3,5,7,12,16H,4,6,8-10H2,1H3,(H,15,17)
InChIKeyPVRHXOBFHLXENF-UHFFFAOYSA-N
XLogP0.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)acetamide
CID 2942219
N-[[(2R)-oxolan-2-yl]methyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 1284754
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991374
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991399
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991395
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3207132
N-(oxolan-2-ylmethyl)-2-(propylsulfonylamino)acetamide
CID 112991356
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 112991400) is 2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccccc1S(=O)(=O)NCC(=O)NCC1CCCO1.
What is the InChIKey of 2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PVRHXOBFHLXENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-5-2-3-7-13(11)21(18,19)16-10-14(17)15-9-12-6-4-8-20-12/h2-3,5,7,12,16H,4,6,8-10H2,1H3,(H,15,17).
What are the key properties of 2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 112991400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).