2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide

C12H18N2O3S — CID 81187980

IUPAC2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CS(=O)(=O)C(C)CN
InChIInChI=1S/C12H18N2O3S/c1-9-5-3-4-6-11(9)14-12(15)8-18(16,17)10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyAQLSIKVTXYVHJN-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.70
Rot. Bonds5

About 2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide

2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide (PubChem CID 81187980) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide
PubChem CID81187980
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CS(=O)(=O)C(C)CN
InChIInChI=1S/C12H18N2O3S/c1-9-5-3-4-6-11(9)14-12(15)8-18(16,17)10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyAQLSIKVTXYVHJN-UHFFFAOYSA-N
XLogP0.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide
CID 81187833
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide
CID 82180098
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide
CID 60883875
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide
CID 82181486
2-(3-aminobutylsulfanyl)-N-(2-methylphenyl)acetamide
CID 66231676
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
2-(1-hydroxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43499948

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide (CID 81187980) is 2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CS(=O)(=O)C(C)CN.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide?
The InChIKey is AQLSIKVTXYVHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-5-3-4-6-11(9)14-12(15)8-18(16,17)10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide?
2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 81187980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).