N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C20H29N3O3S — CID 3537066

IUPACN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)C1CCC(=O)N1
InChIInChI=1S/C20H29N3O3S/c1-3-20(2,19(26)21-14-7-4-5-8-14)23(13-15-9-6-12-27-15)18(25)16-10-11-17(24)22-16/h6,9,12,14,16H,3-5,7-8,10-11,13H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyFWVNESRONZZDRS-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.58
Rot. Bonds7

About N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 3537066) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID3537066
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)C1CCC(=O)N1
InChIInChI=1S/C20H29N3O3S/c1-3-20(2,19(26)21-14-7-4-5-8-14)23(13-15-9-6-12-27-15)18(25)16-10-11-17(24)22-16/h6,9,12,14,16H,3-5,7-8,10-11,13H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyFWVNESRONZZDRS-UHFFFAOYSA-N
XLogP2.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 3537066) is N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)C1CCC(=O)N1.
What is the InChIKey of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FWVNESRONZZDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-3-20(2,19(26)21-14-7-4-5-8-14)23(13-15-9-6-12-27-15)18(25)16-10-11-17(24)22-16/h6,9,12,14,16H,3-5,7-8,10-11,13H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3537066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).