4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide

C13H18N2O3S — CID 103308412

IUPAC4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide
SMILESNC(CCC(=O)NS(=O)(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c14-12(10-4-2-1-3-5-10)8-9-13(16)15-19(17,18)11-6-7-11/h1-5,11-12H,6-9,14H2,(H,15,16)
InChIKeyKKGNAYOLPMIJJW-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.08
Rot. Bonds6

About 4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide

4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide (PubChem CID 103308412) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide
PubChem CID103308412
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide
SMILESNC(CCC(=O)NS(=O)(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c14-12(10-4-2-1-3-5-10)8-9-13(16)15-19(17,18)11-6-7-11/h1-5,11-12H,6-9,14H2,(H,15,16)
InChIKeyKKGNAYOLPMIJJW-UHFFFAOYSA-N
XLogP1.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
(4S)-4-amino-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-phenylbutan-1-one
CID 125146304
(2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide
CID 103308493
4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324217
4-amino-N-(oxan-3-yl)-4-phenylbutanamide
CID 63363689
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide
CID 63323965
4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324219
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
CID 63323905
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide?
The IUPAC name of 4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide (CID 103308412) is 4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide is NC(CCC(=O)NS(=O)(=O)C1CC1)c1ccccc1.
What is the InChIKey of 4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide?
The InChIKey is KKGNAYOLPMIJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-12(10-4-2-1-3-5-10)8-9-13(16)15-19(17,18)11-6-7-11/h1-5,11-12H,6-9,14H2,(H,15,16).
What are the key properties of 4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide?
4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide has a molecular weight of 282.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide is sourced from PubChem (CID 103308412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).