N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide

C21H27N3O3S — CID 98728365

IUPACN-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide
SMILESCCN(C(=O)c1cccc(S(N)(=O)=O)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C21H27N3O3S/c1-3-24(21(25)18-10-7-11-20(14-18)28(22,26)27)19-12-13-23(15-19)16(2)17-8-5-4-6-9-17/h4-11,14,16,19H,3,12-13,15H2,1-2H3,(H2,22,26,27)/t16-,19-/m1/s1
InChIKeyMLXIEIZBMYYRPI-VQIMIIECSA-N
MW401.53 g/mol
LogP2.63
Rot. Bonds6

About N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide

N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide (PubChem CID 98728365) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide
PubChem CID98728365
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide
SMILESCCN(C(=O)c1cccc(S(N)(=O)=O)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C21H27N3O3S/c1-3-24(21(25)18-10-7-11-20(14-18)28(22,26)27)19-12-13-23(15-19)16(2)17-8-5-4-6-9-17/h4-11,14,16,19H,3,12-13,15H2,1-2H3,(H2,22,26,27)/t16-,19-/m1/s1
InChIKeyMLXIEIZBMYYRPI-VQIMIIECSA-N
XLogP2.63
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide
CID 52908504
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide
CID 86874699
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
N-ethyl-5-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 95286765
4-bromo-N-ethyl-3,5-dimethoxy-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]benzamide
CID 98691639
N-ethyl-3-methyl-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 94811047
2-[2-[ethyl-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetamide
CID 98763399
N-ethyl-3-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 75507595
3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 56526240
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98728361
1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 96529450

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide?
The IUPAC name of N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide (CID 98728365) is N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide is CCN(C(=O)c1cccc(S(N)(=O)=O)c1)[C@@H]1CCN([C@H](C)c2ccccc2)C1.
What is the InChIKey of N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide?
The InChIKey is MLXIEIZBMYYRPI-VQIMIIECSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-24(21(25)18-10-7-11-20(14-18)28(22,26)27)19-12-13-23(15-19)16(2)17-8-5-4-6-9-17/h4-11,14,16,19H,3,12-13,15H2,1-2H3,(H2,22,26,27)/t16-,19-/m1/s1.
What are the key properties of N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide?
N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide has a molecular weight of 401.53 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide is sourced from PubChem (CID 98728365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).