3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide

C17H24N2O4S — CID 100624397

IUPAC3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[C@H]1CCOC1
InChIInChI=1S/C17H24N2O4S/c1-12(15-7-8-23-11-15)19-17(20)14-3-2-4-16(9-14)24(21,22)18-10-13-5-6-13/h2-4,9,12-13,15,18H,5-8,10-11H2,1H3,(H,19,20)/t12-,15+/m1/s1
InChIKeyLCINMGIKFIUTFJ-DOMZBBRYSA-N
MW352.46 g/mol
LogP1.53
Rot. Bonds7

About 3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide

3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide (PubChem CID 100624397) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
PubChem CID100624397
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[C@H]1CCOC1
InChIInChI=1S/C17H24N2O4S/c1-12(15-7-8-23-11-15)19-17(20)14-3-2-4-16(9-14)24(21,22)18-10-13-5-6-13/h2-4,9,12-13,15,18H,5-8,10-11H2,1H3,(H,19,20)/t12-,15+/m1/s1
InChIKeyLCINMGIKFIUTFJ-DOMZBBRYSA-N
XLogP1.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617470
N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119591529
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
(E)-2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]hex-4-enoic acid
CID 120692396
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119599772
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide (CID 100624397) is 3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide is C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)[C@H]1CCOC1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
The InChIKey is LCINMGIKFIUTFJ-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-12(15-7-8-23-11-15)19-17(20)14-3-2-4-16(9-14)24(21,22)18-10-13-5-6-13/h2-4,9,12-13,15,18H,5-8,10-11H2,1H3,(H,19,20)/t12-,15+/m1/s1.
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide?
3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide has a molecular weight of 352.46 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide is sourced from PubChem (CID 100624397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).