N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide

C19H21N3O3S — CID 4939517

IUPACN-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccco2)CC1
InChIInChI=1S/C19H21N3O3S/c1-13-8-10-22(11-9-13)18(24)14-5-2-3-6-15(14)20-19(26)21-17(23)16-7-4-12-25-16/h2-7,12-13H,8-11H2,1H3,(H2,20,21,23,26)
InChIKeyXSYXTCBBYVTZCU-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.28
Rot. Bonds3

About N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide

N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide (PubChem CID 4939517) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide
PubChem CID4939517
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccco2)CC1
InChIInChI=1S/C19H21N3O3S/c1-13-8-10-22(11-9-13)18(24)14-5-2-3-6-15(14)20-19(26)21-17(23)16-7-4-12-25-16/h2-7,12-13H,8-11H2,1H3,(H2,20,21,23,26)
InChIKeyXSYXTCBBYVTZCU-UHFFFAOYSA-N
XLogP3.28
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
CID 801553
N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
CID 110865978
N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954695
3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 4934492
N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 1125144
4-(2-ethoxyethoxy)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17112986
(E)-3-(4-chlorophenyl)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 17195744
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
(E)-3-(4-methoxyphenyl)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 6234600
N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 849804
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide (CID 4939517) is N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide is CC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide?
The InChIKey is XSYXTCBBYVTZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-8-10-22(11-9-13)18(24)14-5-2-3-6-15(14)20-19(26)21-17(23)16-7-4-12-25-16/h2-7,12-13H,8-11H2,1H3,(H2,20,21,23,26).
What are the key properties of N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide?
N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 4939517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).