4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid

C14H22N2O4S — CID 61455733

IUPAC4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid
SMILESCC(C)N(C)S(=O)(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H22N2O4S/c1-11(2)16(3)21(19,20)15-13(9-10-14(17)18)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H,17,18)
InChIKeyZSVLONCRJNKBFE-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.77
Rot. Bonds8

About 4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid

4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid (PubChem CID 61455733) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid
PubChem CID61455733
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid
SMILESCC(C)N(C)S(=O)(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H22N2O4S/c1-11(2)16(3)21(19,20)15-13(9-10-14(17)18)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H,17,18)
InChIKeyZSVLONCRJNKBFE-UHFFFAOYSA-N
XLogP1.77
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 55151705
4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid
CID 105360745
[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene
CID 75387205
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
4-(butan-2-ylamino)-4-phenylbutanoic acid
CID 79694517
4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
4-phenyl-4-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 60827707
[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]benzene
CID 54947098
4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
CID 107862309
4-[[2-methyl-3-(methylamino)propanoyl]amino]-4-phenylbutanoic acid
CID 79203169
methyl (3R)-3-(dimethylsulfamoylamino)-3-phenylpropanoate
CID 94800486
[(2S,3S)-3,4-bis[[methyl(propan-2-yl)sulfamoyl]amino]butan-2-yl]benzene
CID 124880364

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid (CID 61455733) is 4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid is CC(C)N(C)S(=O)(=O)NC(CCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid?
The InChIKey is ZSVLONCRJNKBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11(2)16(3)21(19,20)15-13(9-10-14(17)18)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H,17,18).
What are the key properties of 4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid?
4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid has a molecular weight of 314.41 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 61455733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).