3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide

C22H31N3O3S2 — CID 2330968

IUPAC3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](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)/t17-,21-/m0/s1
InChIKeyWXCOWWSQUYQFTG-UWJYYQICSA-N
MW449.64 g/mol
LogP3.73
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide

3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 2330968) has the molecular formula C22H31N3O3S2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID2330968
Molecular FormulaC22H31N3O3S2
Molecular Weight449.64 g/mol
Exact Mass449.18
IUPAC Name3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](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)/t17-,21-/m0/s1
InChIKeyWXCOWWSQUYQFTG-UWJYYQICSA-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

2-chloro-5-(diethylsulfamoyl)-N-[(1R,2R)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
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3-(azepan-1-ylsulfonyl)-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 25360181
3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
CID 60579922
4-nitro-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 5066476
N-(3-methyl-1-thiophen-2-ylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55923006
N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 120505672
N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3,4,5-trimethoxybenzamide
CID 51631158
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CID 2309067
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110824
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-4-carboxamide
CID 6710461
4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide (CID 2330968) is 3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCCC2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is WXCOWWSQUYQFTG-UWJYYQICSA-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)/t17-,21-/m0/s1.
What are the key properties of 3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
3-(diethylsulfamoyl)-N-[(1S,2S)-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-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 2330968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).