N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C17H26N2O4S — CID 18884790

IUPACN-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCC2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O4S/c1-5-23-13-8-10-14(11-9-13)24(21,22)19-12-6-7-15(19)16(20)18-17(2,3)4/h8-11,15H,5-7,12H2,1-4H3,(H,18,20)
InChIKeyKMWNCJHIINJFHL-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.15
Rot. Bonds5

About N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide

N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 18884790) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID18884790
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCC2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O4S/c1-5-23-13-8-10-14(11-9-13)24(21,22)19-12-6-7-15(19)16(20)18-17(2,3)4/h8-11,15H,5-7,12H2,1-4H3,(H,18,20)
InChIKeyKMWNCJHIINJFHL-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409870
(2R)-1-(4-ethoxyphenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 50829110
(2R)-1-(4-ethoxyphenyl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 7263572
[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110395047
1-(4-ethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 16644597
1-(4-acetylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-2-carboxamide
CID 55333838
(2R)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 52510875
(2S)-N-methyl-1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 52510874
N-cyclopropyl-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 46596105
(2S)-N-(2-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 8926953
(2R)-N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 30127642
N-tert-butyl-1-(5-methoxy-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43888288

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 18884790) is N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCC2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is KMWNCJHIINJFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-5-23-13-8-10-14(11-9-13)24(21,22)19-12-6-7-15(19)16(20)18-17(2,3)4/h8-11,15H,5-7,12H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-ethoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 18884790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).