(3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide

C17H26N2O3S — CID 124735778

IUPAC(3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)[C@H]2CCNC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)14-4-6-15(7-5-14)23(21,22)11-10-19-16(20)13-8-9-18-12-13/h4-7,13,18H,8-12H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyNVHNUDQMJANWFM-ZDUSSCGKSA-N
MW338.47 g/mol
LogP1.48
Rot. Bonds5

About (3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide

(3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide (PubChem CID 124735778) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide
PubChem CID124735778
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)[C@H]2CCNC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)14-4-6-15(7-5-14)23(21,22)11-10-19-16(20)13-8-9-18-12-13/h4-7,13,18H,8-12H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyNVHNUDQMJANWFM-ZDUSSCGKSA-N
XLogP1.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
CID 119290590
N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide
CID 106337238
N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine
CID 64646432
N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119723701
N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119735471
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]pyrrolidine-3-carboxamide
CID 119752401
N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
(2S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylsulfanylpropanamide
CID 95305165
N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide
CID 119854606
N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119821892
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119328668
N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide
CID 119874721

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide (CID 124735778) is (3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide is CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)[C@H]2CCNC2)cc1.
What is the InChIKey of (3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide?
The InChIKey is NVHNUDQMJANWFM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,3)14-4-6-15(7-5-14)23(21,22)11-10-19-16(20)13-8-9-18-12-13/h4-7,13,18H,8-12H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide?
(3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124735778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).