3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide

C19H26N3O3S2+ — CID 8799362

IUPAC3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1
InChIInChI=1S/C19H25N3O3S2/c1-21(2)27(24,25)16-8-5-7-15(13-16)19(23)20-14-17(18-9-6-12-26-18)22-10-3-4-11-22/h5-9,12-13,17H,3-4,10-11,14H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1
InChIKeyYPQXCQPITZUNEK-QGZVFWFLSA-O
MW408.57 g/mol
LogP1.15
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide

3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 8799362) has the molecular formula C19H26N3O3S2+ and a molecular weight of 408.57 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID8799362
Molecular FormulaC19H26N3O3S2+
Molecular Weight408.57 g/mol
Exact Mass408.14
IUPAC Name3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1
InChIInChI=1S/C19H25N3O3S2/c1-21(2)27(24,25)16-8-5-7-15(13-16)19(23)20-14-17(18-9-6-12-26-18)22-10-3-4-11-22/h5-9,12-13,17H,3-4,10-11,14H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1
InChIKeyYPQXCQPITZUNEK-QGZVFWFLSA-O
XLogP1.15
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2309067
3-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 4501315
3,4,5-trimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide
CID 8799365
4-bromo-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 8798377
4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
CID 7719508
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
CID 110355133
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 2709531
3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 43008206

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide (CID 8799362) is 3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is YPQXCQPITZUNEK-QGZVFWFLSA-O. The full InChI is InChI=1S/C19H25N3O3S2/c1-21(2)27(24,25)16-8-5-7-15(13-16)19(23)20-14-17(18-9-6-12-26-18)22-10-3-4-11-22/h5-9,12-13,17H,3-4,10-11,14H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide?
3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 408.57 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 8799362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).