(3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide

C18H30N4O3S — CID 72905741

IUPAC(3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)[C@@H]1CN(C(=O)NCCc2ccccc2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C18H30N4O3S/c1-14(2)16-12-22(13-17(16)20-26(24,25)21(3)4)18(23)19-11-10-15-8-6-5-7-9-15/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,19,23)/t16-,17+/m0/s1
InChIKeyCQIISUOBEOZBGN-DLBZAZTESA-N
MW382.53 g/mol
LogP1.29
Rot. Bonds7

About (3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide

(3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 72905741) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is (3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID72905741
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name(3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)[C@@H]1CN(C(=O)NCCc2ccccc2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C18H30N4O3S/c1-14(2)16-12-22(13-17(16)20-26(24,25)21(3)4)18(23)19-11-10-15-8-6-5-7-9-15/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,19,23)/t16-,17+/m0/s1
InChIKeyCQIISUOBEOZBGN-DLBZAZTESA-N
XLogP1.29
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide with MolForge

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Related Compounds

2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4876963
(S)-N-phenethyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418549
4-ethyl-N-((1R,2S)-2-phenylcyclopropyl)piperazine-1-carboxamide
CID 44418566
US10343992, Example 5
CID 122590392
US10343992, Example 207
CID 122590561
US10343992, Example 189
CID 122590629
N-((R)-1-cyanopyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 122590666
Urea, N-[1-methyl-1-[3-(1-methylethenyl)phenyl]ethyl]-N'-[2-(2-oxo-1-imidazolidinyl)ethyl]-
CID 91980796
1-Phenethyl-imidazolidin-2-one
CID 19378891
1-(3-Phenylpropyl)imidazolidin-2-one
CID 46230907
US10233152, Example 131
CID 129279664
US11390584, Example 5
CID 146656895

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide (CID 72905741) is (3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide is CC(C)[C@@H]1CN(C(=O)NCCc2ccccc2)C[C@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of (3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is CQIISUOBEOZBGN-DLBZAZTESA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-14(2)16-12-22(13-17(16)20-26(24,25)21(3)4)18(23)19-11-10-15-8-6-5-7-9-15/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,19,23)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide?
(3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(dimethylsulfamoylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 72905741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).