3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide

C16H22F3N3O3S — CID 124728461

IUPAC3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESCC1(C)[C@H](C(F)(F)F)CCN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H22F3N3O3S/c1-15(2)13(16(17,18)19)6-8-22(15)9-7-14(23)21-11-4-3-5-12(10-11)26(20,24)25/h3-5,10,13H,6-9H2,1-2H3,(H,21,23)(H2,20,24,25)/t13-/m1/s1
InChIKeyDPYVEOBBGLBACZ-CYBMUJFWSA-N
MW393.43 g/mol
LogP2.33
Rot. Bonds5

About 3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide

3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 124728461) has the molecular formula C16H22F3N3O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
PubChem CID124728461
Molecular FormulaC16H22F3N3O3S
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC Name3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
SMILESCC1(C)[C@H](C(F)(F)F)CCN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H22F3N3O3S/c1-15(2)13(16(17,18)19)6-8-22(15)9-7-14(23)21-11-4-3-5-12(10-11)26(20,24)25/h3-5,10,13H,6-9H2,1-2H3,(H,21,23)(H2,20,24,25)/t13-/m1/s1
InChIKeyDPYVEOBBGLBACZ-CYBMUJFWSA-N
XLogP2.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124846214
3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119919395
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 86952115
3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 56526295
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 56526547
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 120869826
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 120772660
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide (CID 124728461) is 3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide is CC1(C)[C@H](C(F)(F)F)CCN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is DPYVEOBBGLBACZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22F3N3O3S/c1-15(2)13(16(17,18)19)6-8-22(15)9-7-14(23)21-11-4-3-5-12(10-11)26(20,24)25/h3-5,10,13H,6-9H2,1-2H3,(H,21,23)(H2,20,24,25)/t13-/m1/s1.
What are the key properties of 3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide?
3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 393.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 124728461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).