(2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide

C13H21N3O3S — CID 95121302

IUPAC(2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide
SMILESCC[C@H](NCCS(=O)(=O)NC)C(=O)Nc1ccccc1
InChIInChI=1S/C13H21N3O3S/c1-3-12(15-9-10-20(18,19)14-2)13(17)16-11-7-5-4-6-8-11/h4-8,12,14-15H,3,9-10H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyIMASAEWWVCESPK-LBPRGKRZSA-N
MW299.40 g/mol
LogP0.54
Rot. Bonds8

About (2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide

(2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide (PubChem CID 95121302) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide
PubChem CID95121302
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide
SMILESCC[C@H](NCCS(=O)(=O)NC)C(=O)Nc1ccccc1
InChIInChI=1S/C13H21N3O3S/c1-3-12(15-9-10-20(18,19)14-2)13(17)16-11-7-5-4-6-8-11/h4-8,12,14-15H,3,9-10H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyIMASAEWWVCESPK-LBPRGKRZSA-N
XLogP0.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methylsulfamoyl)ethyl]-3-phenylurea
CID 110292892
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
2-methyl-N-phenylpentanamide
CID 4627801
2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide
CID 67945076
2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337642
2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
CID 82181671
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide
CID 102675958
4-anilino-3-methyl-4-oxobutanoic acid;ethane
CID 90916369
2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide
CID 10399263
2-(octylamino)-N-phenylpropanamide
CID 78914372

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide?
The IUPAC name of (2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide (CID 95121302) is (2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide.
What is the SMILES notation for (2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide?
The canonical SMILES for (2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide is CC[C@H](NCCS(=O)(=O)NC)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide?
The InChIKey is IMASAEWWVCESPK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-12(15-9-10-20(18,19)14-2)13(17)16-11-7-5-4-6-8-11/h4-8,12,14-15H,3,9-10H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide?
(2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide has a molecular weight of 299.40 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(methylsulfamoyl)ethylamino]-N-phenylbutanamide is sourced from PubChem (CID 95121302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).