2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid

C16H23NO6S — CID 120688038

IUPAC2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid
SMILESCOc1ccc(S(C)(=O)=O)cc1C(=O)NCC(CC(C)C)C(=O)O
InChIInChI=1S/C16H23NO6S/c1-10(2)7-11(16(19)20)9-17-15(18)13-8-12(24(4,21)22)5-6-14(13)23-3/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyJJLOFQUTXBDOJJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.58
Rot. Bonds8

About 2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid

2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 120688038) has the molecular formula C16H23NO6S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid
PubChem CID120688038
Molecular FormulaC16H23NO6S
Molecular Weight357.43 g/mol
Exact Mass357.12
IUPAC Name2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid
SMILESCOc1ccc(S(C)(=O)=O)cc1C(=O)NCC(CC(C)C)C(=O)O
InChIInChI=1S/C16H23NO6S/c1-10(2)7-11(16(19)20)9-17-15(18)13-8-12(24(4,21)22)5-6-14(13)23-3/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyJJLOFQUTXBDOJJ-UHFFFAOYSA-N
XLogP1.58
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]-3-methylpentanoic acid
CID 120686652
2-[[(2-methyl-5-methylsulfonylbenzoyl)amino]methyl]butanoic acid
CID 65217875
3-[4-[(2-methoxy-5-methylsulfonylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 120690055
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
CID 120828882
1-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120690142
2-[[(2-bromo-5-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 81110372
N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 115591271
2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372088
N-(2-amino-4-methylpentyl)-2,5-dimethoxybenzamide
CID 107158831
3-[(2-methoxy-5-methylsulfonylbenzoyl)-methylamino]propanoic acid
CID 120687388
2-[[(2,6-dimethoxyphenyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660620

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid (CID 120688038) is 2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid is COc1ccc(S(C)(=O)=O)cc1C(=O)NCC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is JJLOFQUTXBDOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S/c1-10(2)7-11(16(19)20)9-17-15(18)13-8-12(24(4,21)22)5-6-14(13)23-3/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid?
2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 357.43 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-5-methylsulfonylbenzoyl)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 120688038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).