N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide

C16H17N3O2S — CID 891188

IUPACN-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccco1
InChIInChI=1S/C16H17N3O2S/c20-15(14-8-5-11-21-14)18-16(22)17-12-6-1-2-7-13(12)19-9-3-4-10-19/h1-2,5-8,11H,3-4,9-10H2,(H2,17,18,20,22)
InChIKeyMHHOAURJPHCKAV-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.01
Rot. Bonds3

About N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide

N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 891188) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide
PubChem CID891188
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccco1
InChIInChI=1S/C16H17N3O2S/c20-15(14-8-5-11-21-14)18-16(22)17-12-6-1-2-7-13(12)19-9-3-4-10-19/h1-2,5-8,11H,3-4,9-10H2,(H2,17,18,20,22)
InChIKeyMHHOAURJPHCKAV-UHFFFAOYSA-N
XLogP3.01
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-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

Related Compounds

N-[4-(diethylamino)phenyl]-2-furancarboxamide
CID 675057
1-Furfuryl-3-phenyl-2-thiourea
CID 689750
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)furan-2-carboxamide
CID 21428857
5-(2-Furanylmethyl)tetrahydro-1-phenyl-1,3,5-triazine-2(1H)-thione
CID 754478
2-(Furan-2-yl)-1,3-dimethyl-2,3-dihydro-1H-benzo[d]imidazole
CID 816799
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-furamide
CID 842983
Furan-2-carboxylic acid [2-(4-isobutyryl-piperazin-1-yl)-phenyl]-amide
CID 953772
N-(2-ethoxyphenyl)-N'-(2-furoyl)thiourea
CID 1226907
4-[(Furan-2-carbonyl)-amino]-piperidine-1-carboxylic acid (3-fluoro-phenyl)-amide
CID 3218442
2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 3219765
2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221395

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide (CID 891188) is N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccco1.
What is the InChIKey of N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is MHHOAURJPHCKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15(14-8-5-11-21-14)18-16(22)17-12-6-1-2-7-13(12)19-9-3-4-10-19/h1-2,5-8,11H,3-4,9-10H2,(H2,17,18,20,22).
What are the key properties of N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide?
N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 891188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).