N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide

C16H21N3O3S2 — CID 3000126

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N(C)C)c1
InChIInChI=1S/C16H21N3O3S2/c1-17-24(21,22)13-7-4-6-12(10-13)16(20)18-11-14(19(2)3)15-8-5-9-23-15/h4-10,14,17H,11H2,1-3H3,(H,18,20)
InChIKeyDQXKHXYTSTTWQR-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.69
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide (PubChem CID 3000126) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide
PubChem CID3000126
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N(C)C)c1
InChIInChI=1S/C16H21N3O3S2/c1-17-24(21,22)13-7-4-6-12(10-13)16(20)18-11-14(19(2)3)15-8-5-9-23-15/h4-10,14,17H,11H2,1-3H3,(H,18,20)
InChIKeyDQXKHXYTSTTWQR-UHFFFAOYSA-N
XLogP1.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
N-(3-methylbutyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide 5,5-dioxide
CID 6620252
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 16305983
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(dimethylsulfamoyl)benzamide
CID 16392850

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide (CID 3000126) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is DQXKHXYTSTTWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-17-24(21,22)13-7-4-6-12(10-13)16(20)18-11-14(19(2)3)15-8-5-9-23-15/h4-10,14,17H,11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 367.50 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 3000126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).