(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid

C17H24N2O6S — CID 119361822

IUPAC(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C17H24N2O6S/c1-12(2)11-15(17(21)22)18-16(20)13-3-5-14(6-4-13)26(23,24)19-7-9-25-10-8-19/h3-6,12,15H,7-11H2,1-2H3,(H,18,20)(H,21,22)/t15-/m0/s1
InChIKeyLKBFDXOJKNLOCG-HNNXBMFYSA-N
MW384.45 g/mol
LogP0.94
Rot. Bonds7

About (2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid

(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid (PubChem CID 119361822) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
PubChem CID119361822
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C17H24N2O6S/c1-12(2)11-15(17(21)22)18-16(20)13-3-5-14(6-4-13)26(23,24)19-7-9-25-10-8-19/h3-6,12,15H,7-11H2,1-2H3,(H,18,20)(H,21,22)/t15-/m0/s1
InChIKeyLKBFDXOJKNLOCG-HNNXBMFYSA-N
XLogP0.94
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119364001
N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 7927777
N-[(1R)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856521
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790
N-[(1S)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856511
N-(dicyclopropylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 18146406
N-[1-(1-adamantyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 5051760
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8700706
(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119361067
N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189658
(2S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4-methylpentanoic acid
CID 31315997
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid (CID 119361822) is (2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid is CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid?
The InChIKey is LKBFDXOJKNLOCG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-12(2)11-15(17(21)22)18-16(20)13-3-5-14(6-4-13)26(23,24)19-7-9-25-10-8-19/h3-6,12,15H,7-11H2,1-2H3,(H,18,20)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid has a molecular weight of 384.45 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 119361822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).