2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide

C12H18N2O3S — CID 96678961

IUPAC2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCNCC(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H18N2O3S/c1-9(2)18(16,17)11-6-4-10(5-7-11)14-12(15)8-13-3/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeySAYYGHADOQHBPM-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.03
Rot. Bonds5

About 2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide

2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 96678961) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID96678961
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCNCC(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H18N2O3S/c1-9(2)18(16,17)11-6-4-10(5-7-11)14-12(15)8-13-3/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeySAYYGHADOQHBPM-UHFFFAOYSA-N
XLogP1.03
TPSA75.27 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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 115172909
N-(4-propan-2-ylsulfonylphenyl)pentanamide
CID 110778701
ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
CID 110778736
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
2-(methylamino)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672801
2-oxo-2-(4-propan-2-ylsulfonylanilino)acetic acid
CID 82502013
N-[4-(ethylsulfonylamino)phenyl]-2-(methylamino)acetamide
CID 54863090
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid
CID 120537294
3-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528412
2-(4-propan-2-ylsulfonylanilino)acetaldehyde
CID 115222671

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide (CID 96678961) is 2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide is CNCC(=O)Nc1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of 2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is SAYYGHADOQHBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)18(16,17)11-6-4-10(5-7-11)14-12(15)8-13-3/h4-7,9,13H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide?
2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 96678961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).