N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C17H26N2O2S — CID 78768339

IUPACN-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C17H26N2O2S/c1-3-4-5-8-13(2)18-16(20)14-9-6-11-19(14)17(21)15-10-7-12-22-15/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,18,20)
InChIKeyIEKWLSIACWWFLA-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.44
Rot. Bonds7

About N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 78768339) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID78768339
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C17H26N2O2S/c1-3-4-5-8-13(2)18-16(20)14-9-6-11-19(14)17(21)15-10-7-12-22-15/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,18,20)
InChIKeyIEKWLSIACWWFLA-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(2R)-octan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 96563528
N-(1-aminohexan-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 119668412
2-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119224134
N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 166843631
(2R)-4-methyl-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 119364822
N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 112827070
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 97185302
(2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94473764
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119499235
N-(1-naphthalen-1-ylethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47004895

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 78768339) is N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is CCCCCC(C)NC(=O)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is IEKWLSIACWWFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-3-4-5-8-13(2)18-16(20)14-9-6-11-19(14)17(21)15-10-7-12-22-15/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,18,20).
What are the key properties of N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 78768339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).