2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid

C16H22N2O5S — CID 91835801

IUPAC2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O5S/c1-11-5-6-12(24(17,22)23)9-13(11)15(21)18-16(10-14(19)20)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyGTNYDIYJHZMOBU-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.55
Rot. Bonds5

About 2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid

2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid (PubChem CID 91835801) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid
PubChem CID91835801
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O5S/c1-11-5-6-12(24(17,22)23)9-13(11)15(21)18-16(10-14(19)20)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyGTNYDIYJHZMOBU-UHFFFAOYSA-N
XLogP1.55
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid
CID 119217146
2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid
CID 136550006
2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64686291
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 64671169
2-[1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclobutyl]acetic acid
CID 120686845
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
1-[(2-methyl-5-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 75460812
2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64671935
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79845790

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid (CID 91835801) is 2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid is Cc1ccc(S(N)(=O)=O)cc1C(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid?
The InChIKey is GTNYDIYJHZMOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-11-5-6-12(24(17,22)23)9-13(11)15(21)18-16(10-14(19)20)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23).
What are the key properties of 2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid?
2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid has a molecular weight of 354.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 91835801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).