N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide

C14H20N2O4S — CID 106494941

IUPACN-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide
SMILESCc1c(N)cccc1NC(=O)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H20N2O4S/c1-10-12(15)5-2-6-13(10)16-14(17)9-21(18,19)8-11-4-3-7-20-11/h2,5-6,11H,3-4,7-9,15H2,1H3,(H,16,17)
InChIKeyQTZLZYXEERKTBP-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.11
Rot. Bonds5

About N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide

N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide (PubChem CID 106494941) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide
PubChem CID106494941
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide
SMILESCc1c(N)cccc1NC(=O)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H20N2O4S/c1-10-12(15)5-2-6-13(10)16-14(17)9-21(18,19)8-11-4-3-7-20-11/h2,5-6,11H,3-4,7-9,15H2,1H3,(H,16,17)
InChIKeyQTZLZYXEERKTBP-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
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-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide
CID 106497396
2-methyl-3-(oxan-2-ylmethylsulfonyl)aniline
CID 81190309
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
2-methyl-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 63062740
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
CID 87028458
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247225
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 55352557
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732862
2-(oxolan-2-ylmethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 106497039

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide (CID 106494941) is N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide is Cc1c(N)cccc1NC(=O)CS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide?
The InChIKey is QTZLZYXEERKTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-12(15)5-2-6-13(10)16-14(17)9-21(18,19)8-11-4-3-7-20-11/h2,5-6,11H,3-4,7-9,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide?
N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 106494941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).