1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid

C19H26N2O5S — CID 120539619

IUPAC1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C19H26N2O5S/c1-13-6-9-15(27(25,26)20-14-7-8-14)12-16(13)17(22)21(2)19(18(23)24)10-4-3-5-11-19/h6,9,12,14,20H,3-5,7-8,10-11H2,1-2H3,(H,23,24)
InChIKeyWWEWNCZUDNGZHZ-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.30
Rot. Bonds6

About 1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid

1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120539619) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120539619
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C19H26N2O5S/c1-13-6-9-15(27(25,26)20-14-7-8-14)12-16(13)17(22)21(2)19(18(23)24)10-4-3-5-11-19/h6,9,12,14,20H,3-5,7-8,10-11H2,1-2H3,(H,23,24)
InChIKeyWWEWNCZUDNGZHZ-UHFFFAOYSA-N
XLogP2.30
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid
CID 119202227
1-[methyl-(2-methyl-5-methylsulfanylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 120540240
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552011
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
5-(cyclopropylsulfamoyl)-2-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 46679817
2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid
CID 119217146
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679136
1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539772
5-(cyclohexylsulfamoyl)-2-methyl-N-[(2S)-2-phenylpropyl]benzamide
CID 9301857
5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31840744

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid (CID 120539619) is 1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WWEWNCZUDNGZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-13-6-9-15(27(25,26)20-14-7-8-14)12-16(13)17(22)21(2)19(18(23)24)10-4-3-5-11-19/h6,9,12,14,20H,3-5,7-8,10-11H2,1-2H3,(H,23,24).
What are the key properties of 1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid?
1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 394.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).