3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide

C22H31N3O3S2 — CID 5105832

IUPAC3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C)C(c2cccs2)N2CCCC2)c1
InChIInChI=1S/C22H31N3O3S2/c1-4-25(5-2)30(27,28)19-11-8-10-18(16-19)22(26)23-17(3)21(20-12-9-15-29-20)24-13-6-7-14-24/h8-12,15-17,21H,4-7,13-14H2,1-3H3,(H,23,26)
InChIKeyWXCOWWSQUYQFTG-UHFFFAOYSA-N
MW449.64 g/mol
LogP3.73
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide

3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 5105832) has the molecular formula C22H31N3O3S2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID5105832
Molecular FormulaC22H31N3O3S2
Molecular Weight449.64 g/mol
Exact Mass449.18
IUPAC Name3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C)C(c2cccs2)N2CCCC2)c1
InChIInChI=1S/C22H31N3O3S2/c1-4-25(5-2)30(27,28)19-11-8-10-18(16-19)22(26)23-17(3)21(20-12-9-15-29-20)24-13-6-7-14-24/h8-12,15-17,21H,4-7,13-14H2,1-3H3,(H,23,26)
InChIKeyWXCOWWSQUYQFTG-UHFFFAOYSA-N
XLogP3.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
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
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 16305983
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
N-(1,1-Dioxidotetrahydrothiophen-3-yl)-N-propyl-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 4838573
N-[2-(dimethylamino)ethyl]-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 14700204

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide (CID 5105832) is 3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C)C(c2cccs2)N2CCCC2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is WXCOWWSQUYQFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S2/c1-4-25(5-2)30(27,28)19-11-8-10-18(16-19)22(26)23-17(3)21(20-12-9-15-29-20)24-13-6-7-14-24/h8-12,15-17,21H,4-7,13-14H2,1-3H3,(H,23,26).
What are the key properties of 3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 449.64 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 5105832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).