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

C12H18N2O3S — CID 64630713

IUPACN-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)CS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-9(8-18(3,16)17)13-11-4-6-12(7-5-11)14-10(2)15/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyVIVMVTKQYNEFDT-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.49
Rot. Bonds5

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

N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide (PubChem CID 64630713) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
PubChem CID64630713
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)CS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-9(8-18(3,16)17)13-11-4-6-12(7-5-11)14-10(2)15/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyVIVMVTKQYNEFDT-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]urea
CID 64629337
methyl 4-(1-methylsulfonylpropan-2-ylamino)benzoate
CID 64628913
4-ethylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630538
N-(1-methylsulfonylpropan-2-yl)-4-propan-2-ylaniline
CID 64631526
2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630132
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900
methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate
CID 115918902
N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide
CID 64629339
2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64631355
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
CID 103936587
N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline
CID 64629725

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide (CID 64630713) is N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide is CC(=O)Nc1ccc(NC(C)CS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide?
The InChIKey is VIVMVTKQYNEFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(8-18(3,16)17)13-11-4-6-12(7-5-11)14-10(2)15/h4-7,9,13H,8H2,1-3H3,(H,14,15).
What are the key properties of N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide?
N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide has a molecular weight of 270.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 64630713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).