(3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide

C18H25N3O3S — CID 25433378

IUPAC(3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1C
InChIInChI=1S/C18H25N3O3S/c1-3-14-11(2)8-15(25-14)18(24)20-19-17(23)12-9-16(22)21(10-12)13-6-4-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3,(H,19,23)(H,20,24)/t12-/m0/s1
InChIKeyILTBLGLGKXSKEO-LBPRGKRZSA-N
MW363.48 g/mol
LogP2.17
Rot. Bonds4

About (3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide

(3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 25433378) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID25433378
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name(3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1C
InChIInChI=1S/C18H25N3O3S/c1-3-14-11(2)8-15(25-14)18(24)20-19-17(23)12-9-16(22)21(10-12)13-6-4-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3,(H,19,23)(H,20,24)/t12-/m0/s1
InChIKeyILTBLGLGKXSKEO-LBPRGKRZSA-N
XLogP2.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 9158057
(3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51932924
(3S)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51932925
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
(1R,2R,3S,4R)-3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124840296
1-cyclohexyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2991661
N-(3-bromo-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113182274
N-(3-chloro-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081380
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
CID 24643981
N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9157940
1-cyclopentyl-N-[2-(5-methylthiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70742007

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of (3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide (CID 25433378) is (3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for (3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide is CCc1sc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1C.
What is the InChIKey of (3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is ILTBLGLGKXSKEO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-14-11(2)8-15(25-14)18(24)20-19-17(23)12-9-16(22)21(10-12)13-6-4-5-7-13/h8,12-13H,3-7,9-10H2,1-2H3,(H,19,23)(H,20,24)/t12-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
(3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 363.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 25433378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).