2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide

C13H20N2O3S — CID 97222344

IUPAC2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide
SMILESCCC[C@H](NC(=O)CS(=O)(=O)NC)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-3-7-12(11-8-5-4-6-9-11)15-13(16)10-19(17,18)14-2/h4-6,8-9,12,14H,3,7,10H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyFOHHBHFBUMWTPX-LBPRGKRZSA-N
MW284.38 g/mol
LogP1.19
Rot. Bonds7

About 2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide

2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide (PubChem CID 97222344) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide
PubChem CID97222344
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide
SMILESCCC[C@H](NC(=O)CS(=O)(=O)NC)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-3-7-12(11-8-5-4-6-9-11)15-13(16)10-19(17,18)14-2/h4-6,8-9,12,14H,3,7,10H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyFOHHBHFBUMWTPX-LBPRGKRZSA-N
XLogP1.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylsulfamoyl)-N-(1-phenylbutyl)acetamide
CID 84586017
1-phenylbutylurea
CID 2852079
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide
CID 27856977
N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide
CID 60849585
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide
CID 43027703
2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 18290915
N-[(1S)-1,3-diphenylpropyl]propanamide
CID 138984444
1-O-methyl 4-O-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] benzene-1,4-dicarboxylate
CID 7521657
2,2,2-trifluoroethyl N-(1-phenylbutyl)carbamate
CID 60705858
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 9456378

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide?
The IUPAC name of 2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide (CID 97222344) is 2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide is CCC[C@H](NC(=O)CS(=O)(=O)NC)c1ccccc1.
What is the InChIKey of 2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide?
The InChIKey is FOHHBHFBUMWTPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-7-12(11-8-5-4-6-9-11)15-13(16)10-19(17,18)14-2/h4-6,8-9,12,14H,3,7,10H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of 2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide?
2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfamoyl)-N-[(1S)-1-phenylbutyl]acetamide is sourced from PubChem (CID 97222344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).