(2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C21H28N2O2S — CID 8927607

IUPAC(2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C21H28N2O2S/c24-19(17-3-1-5-23(17)20(25)18-4-2-6-26-18)22-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h2,4,6,14-17H,1,3,5,7-13H2,(H,22,24)/t14?,15?,16?,17-,21?/m1/s1
InChIKeyGOPMOORHSYUCLD-JRQWYPPZSA-N
MW372.53 g/mol
LogP3.69
Rot. Bonds4

About (2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 8927607) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is (2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID8927607
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name(2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C21H28N2O2S/c24-19(17-3-1-5-23(17)20(25)18-4-2-6-26-18)22-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h2,4,6,14-17H,1,3,5,7-13H2,(H,22,24)/t14?,15?,16?,17-,21?/m1/s1
InChIKeyGOPMOORHSYUCLD-JRQWYPPZSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27845585
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
(2R)-N-[[(2R)-thiolan-2-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 124573724
(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18163760
(2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9208185
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406464
N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78843061
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023
tert-butyl N-[2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]ethyl]carbamate
CID 47082171
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119499235

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 8927607) is (2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is GOPMOORHSYUCLD-JRQWYPPZSA-N. The full InChI is InChI=1S/C21H28N2O2S/c24-19(17-3-1-5-23(17)20(25)18-4-2-6-26-18)22-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h2,4,6,14-17H,1,3,5,7-13H2,(H,22,24)/t14?,15?,16?,17-,21?/m1/s1.
What are the key properties of (2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 372.53 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 8927607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).