4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide

C16H23N3O4S — CID 110347447

IUPAC4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N1CCCC1
InChIInChI=1S/C16H23N3O4S/c1-12(16(21)19-10-4-5-11-19)17-15(20)13-6-8-14(9-7-13)24(22,23)18(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyHBAJUTDODOBDTE-LBPRGKRZSA-N
MW353.44 g/mol
LogP0.68
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide

4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide (PubChem CID 110347447) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
PubChem CID110347447
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N1CCCC1
InChIInChI=1S/C16H23N3O4S/c1-12(16(21)19-10-4-5-11-19)17-15(20)13-6-8-14(9-7-13)24(22,23)18(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyHBAJUTDODOBDTE-LBPRGKRZSA-N
XLogP0.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351370
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide
CID 52505990
(2S)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 9441553
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 41192964
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 103735178
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837
3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347765
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide (CID 110347447) is 4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide is C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)N1CCCC1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide?
The InChIKey is HBAJUTDODOBDTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-12(16(21)19-10-4-5-11-19)17-15(20)13-6-8-14(9-7-13)24(22,23)18(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of 4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide?
4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide has a molecular weight of 353.44 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 110347447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).