methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate

C20H22N2O5S — CID 24585775

IUPACmethyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)c1
InChIInChI=1S/C20H22N2O5S/c1-12-5-9-16(28(25,26)22-15-7-8-15)11-17(12)19(23)21-18-10-14(20(24)27-3)6-4-13(18)2/h4-6,9-11,15,22H,7-8H2,1-3H3,(H,21,23)
InChIKeyKPQNJZJNASHNJC-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.78
Rot. Bonds6

About methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate

methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate (PubChem CID 24585775) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate
PubChem CID24585775
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Namemethyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)c1
InChIInChI=1S/C20H22N2O5S/c1-12-5-9-16(28(25,26)22-15-7-8-15)11-17(12)19(23)21-18-10-14(20(24)27-3)6-4-13(18)2/h4-6,9-11,15,22H,7-8H2,1-3H3,(H,21,23)
InChIKeyKPQNJZJNASHNJC-UHFFFAOYSA-N
XLogP2.78
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate
CID 35249899
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 119419615
5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 24585975
5-(cyclopropylsulfamoyl)-2-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 46679817
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
5-(cyclopropylsulfamoyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 35804827
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
5-(cyclopropylsulfamoyl)-N-[2-(4-ethoxyphenoxy)phenyl]-2-methylbenzamide
CID 24585807
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55993465

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate (CID 24585775) is methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)c1.
What is the InChIKey of methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate?
The InChIKey is KPQNJZJNASHNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-12-5-9-16(28(25,26)22-15-7-8-15)11-17(12)19(23)21-18-10-14(20(24)27-3)6-4-13(18)2/h4-6,9-11,15,22H,7-8H2,1-3H3,(H,21,23).
What are the key properties of methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate?
methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate has a molecular weight of 402.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate is sourced from PubChem (CID 24585775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).