3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide

C18H20N2O4S — CID 60561894

IUPAC3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide
SMILESCc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1
InChIInChI=1S/C18H20N2O4S/c1-12-5-8-17(21)16(9-12)20-18(22)14-3-2-4-15(10-14)25(23,24)19-11-13-6-7-13/h2-5,8-10,13,19,21H,6-7,11H2,1H3,(H,20,22)
InChIKeyUHJCWEYCLPVGQT-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.64
Rot. Bonds6

About 3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide

3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide (PubChem CID 60561894) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide
PubChem CID60561894
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide
SMILESCc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1
InChIInChI=1S/C18H20N2O4S/c1-12-5-8-17(21)16(9-12)20-18(22)14-3-2-4-15(10-14)25(23,24)19-11-13-6-7-13/h2-5,8-10,13,19,21H,6-7,11H2,1H3,(H,20,22)
InChIKeyUHJCWEYCLPVGQT-UHFFFAOYSA-N
XLogP2.64
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440447
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243
3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617470
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37021657
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide (CID 60561894) is 3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide is Cc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide?
The InChIKey is UHJCWEYCLPVGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12-5-8-17(21)16(9-12)20-18(22)14-3-2-4-15(10-14)25(23,24)19-11-13-6-7-13/h2-5,8-10,13,19,21H,6-7,11H2,1H3,(H,20,22).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide?
3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide is sourced from PubChem (CID 60561894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).