(2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C22H30N2O2S — CID 9208185

IUPAC(2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(C(=O)[C@H]1CCCN1C(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O2S/c1-2-24(22-12-15-9-16(13-22)11-17(10-15)14-22)20(25)18-5-3-7-23(18)21(26)19-6-4-8-27-19/h4,6,8,15-18H,2-3,5,7,9-14H2,1H3/t15?,16?,17?,18-,22?/m1/s1
InChIKeyHOGMPSQMRAMBPK-DQYWGJDHSA-N
MW386.56 g/mol
LogP4.17
Rot. Bonds4

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

(2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 9208185) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is (2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID9208185
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name(2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(C(=O)[C@H]1CCCN1C(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O2S/c1-2-24(22-12-15-9-16(13-22)11-17(10-15)14-22)20(25)18-5-3-7-23(18)21(26)19-6-4-8-27-19/h4,6,8,15-18H,2-3,5,7,9-14H2,1H3/t15?,16?,17?,18-,22?/m1/s1
InChIKeyHOGMPSQMRAMBPK-DQYWGJDHSA-N
XLogP4.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 8927607
2-[methyl-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119172478
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023
(2S)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24545782
ethyl N-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]carbamate
CID 55929773
2-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119224134
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42904904
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78843061
N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78768339

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 9208185) is (2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is CCN(C(=O)[C@H]1CCCN1C(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HOGMPSQMRAMBPK-DQYWGJDHSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-2-24(22-12-15-9-16(13-22)11-17(10-15)14-22)20(25)18-5-3-7-23(18)21(26)19-6-4-8-27-19/h4,6,8,15-18H,2-3,5,7,9-14H2,1H3/t15?,16?,17?,18-,22?/m1/s1.
What are the key properties of (2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 386.56 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantyl)-N-ethyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 9208185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).