3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide

C21H27N3O3S — CID 86952115

IUPAC3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESCc1cc(C)cc(C2CCCN2CCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C21H27N3O3S/c1-15-11-16(2)13-17(12-15)20-7-4-9-24(20)10-8-21(25)23-18-5-3-6-19(14-18)28(22,26)27/h3,5-6,11-14,20H,4,7-10H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyFQUWNHPKDXDWDY-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.12
Rot. Bonds6

About 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide

3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 86952115) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
PubChem CID86952115
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESCc1cc(C)cc(C2CCCN2CCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C21H27N3O3S/c1-15-11-16(2)13-17(12-15)20-7-4-9-24(20)10-8-21(25)23-18-5-3-6-19(14-18)28(22,26)27/h3,5-6,11-14,20H,4,7-10H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyFQUWNHPKDXDWDY-UHFFFAOYSA-N
XLogP3.12
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 56526547
2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 26671200
3-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 78830213
3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119919395
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 86952130
3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 124728461
N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 86952041
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 120869826
N-(4-sulfamoylphenyl)-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 30101437
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
CID 86953269
N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 55499255

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide (CID 86952115) is 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide is Cc1cc(C)cc(C2CCCN2CCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is FQUWNHPKDXDWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-15-11-16(2)13-17(12-15)20-7-4-9-24(20)10-8-21(25)23-18-5-3-6-19(14-18)28(22,26)27/h3,5-6,11-14,20H,4,7-10H2,1-2H3,(H,23,25)(H2,22,26,27).
What are the key properties of 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 401.53 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 86952115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).