2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide

C12H18N2O3S — CID 64630132

IUPAC2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
SMILESCC(CS(C)(=O)=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-9(8-18(2,16)17)14-11-5-3-10(4-6-11)7-12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15)
InChIKeyPPIKUXGXONEWEF-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.56
Rot. Bonds6

About 2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide

2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide (PubChem CID 64630132) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
PubChem CID64630132
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
SMILESCC(CS(C)(=O)=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-9(8-18(2,16)17)14-11-5-3-10(4-6-11)7-12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15)
InChIKeyPPIKUXGXONEWEF-UHFFFAOYSA-N
XLogP0.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630713
methyl 4-(1-methylsulfonylpropan-2-ylamino)benzoate
CID 64628913
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
1-methyl-3-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]urea
CID 64629337
N-(1-methylsulfonylpropan-2-yl)-4-propan-2-ylaniline
CID 64631526
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
4-ethylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630538
2-(4-carbamothioylphenyl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64643986
2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43724150
2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide
CID 115917629
2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
CID 115352781
N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide
CID 64629339

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide?
The IUPAC name of 2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide (CID 64630132) is 2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide is CC(CS(C)(=O)=O)Nc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide?
The InChIKey is PPIKUXGXONEWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(8-18(2,16)17)14-11-5-3-10(4-6-11)7-12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15).
What are the key properties of 2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide?
2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 64630132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).