3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide

C15H21N3O5S — CID 97187419

IUPAC3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide
SMILESCN(C)C(=O)CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C15H21N3O5S/c1-18(2)14(19)9-16-24(21,22)13-5-3-4-11(8-13)15(20)17-12-6-7-23-10-12/h3-5,8,12,16H,6-7,9-10H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyPCHZCBKGOBQBHA-LBPRGKRZSA-N
MW355.42 g/mol
LogP-0.43
Rot. Bonds6

About 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide

3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide (PubChem CID 97187419) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide
PubChem CID97187419
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide
SMILESCN(C)C(=O)CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC2)c1
InChIInChI=1S/C15H21N3O5S/c1-18(2)14(19)9-16-24(21,22)13-5-3-4-11(8-13)15(20)17-12-6-7-23-10-12/h3-5,8,12,16H,6-7,9-10H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyPCHZCBKGOBQBHA-LBPRGKRZSA-N
XLogP-0.43
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
3-[(2,5-dimethylpyrazol-3-yl)methylsulfamoyl]-N-[(3R)-oxolan-3-yl]benzamide
CID 97187261
3-(cyclohexen-1-ylmethylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 72939397
3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 97202366
N-cyclobutyl-3-[[(3R)-oxan-3-yl]methylsulfamoyl]benzamide
CID 97192873
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
3-(oxan-4-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 77097621
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
3-[[(3R)-oxolan-3-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 99819133
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide (CID 97187419) is 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide is CN(C)C(=O)CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC2)c1.
What is the InChIKey of 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is PCHZCBKGOBQBHA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-18(2)14(19)9-16-24(21,22)13-5-3-4-11(8-13)15(20)17-12-6-7-23-10-12/h3-5,8,12,16H,6-7,9-10H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide?
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 355.42 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-N-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 97187419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).