(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid

C17H26N2O5S — CID 119361067

IUPAC(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc1
InChIInChI=1S/C17H26N2O5S/c1-11(2)9-15(17(21)22)19-16(20)13-5-7-14(8-6-13)25(23,24)18-10-12(3)4/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyMMHSEUAIROAYFE-HNNXBMFYSA-N
MW370.47 g/mol
LogP1.85
Rot. Bonds9

About (2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid

(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid (PubChem CID 119361067) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid
PubChem CID119361067
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc1
InChIInChI=1S/C17H26N2O5S/c1-11(2)9-15(17(21)22)19-16(20)13-5-7-14(8-6-13)25(23,24)18-10-12(3)4/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyMMHSEUAIROAYFE-HNNXBMFYSA-N
XLogP1.85
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119364417
(2S)-3-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]butanoic acid
CID 119359662
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 119384028
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
(2S)-4-methyl-2-[(4-propanoylbenzoyl)amino]pentanoic acid
CID 119361961

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid (CID 119361067) is (2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid is CC(C)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc1.
What is the InChIKey of (2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid?
The InChIKey is MMHSEUAIROAYFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-11(2)9-15(17(21)22)19-16(20)13-5-7-14(8-6-13)25(23,24)18-10-12(3)4/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,19,20)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid has a molecular weight of 370.47 g/mol, XLogP of 1.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119361067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).