3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide

C17H24N2O4S — CID 126808026

IUPAC3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C17H24N2O4S/c1-19(15-6-3-7-16(15)20)17(21)13-4-2-5-14(10-13)24(22,23)18-11-12-8-9-12/h2,4-5,10,12,15-16,18,20H,3,6-9,11H2,1H3/t15-,16-/m1/s1
InChIKeyFMOUAXZIKVHVNJ-HZPDHXFCSA-N
MW352.46 g/mol
LogP1.36
Rot. Bonds6

About 3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide

3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide (PubChem CID 126808026) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide
PubChem CID126808026
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C17H24N2O4S/c1-19(15-6-3-7-16(15)20)17(21)13-4-2-5-14(10-13)24(22,23)18-11-12-8-9-12/h2,4-5,10,12,15-16,18,20H,3,6-9,11H2,1H3/t15-,16-/m1/s1
InChIKeyFMOUAXZIKVHVNJ-HZPDHXFCSA-N
XLogP1.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 46596766
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 98771871
N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555
2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193315
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide
CID 56536544
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195
N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 47789881
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide (CID 126808026) is 3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide is CN(C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[C@@H]1CCC[C@H]1O.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide?
The InChIKey is FMOUAXZIKVHVNJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-19(15-6-3-7-16(15)20)17(21)13-4-2-5-14(10-13)24(22,23)18-11-12-8-9-12/h2,4-5,10,12,15-16,18,20H,3,6-9,11H2,1H3/t15-,16-/m1/s1.
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide?
3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide is sourced from PubChem (CID 126808026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).