N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide

C19H23N3O2S — CID 3218735

IUPACN-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(NC(=S)N2CCC(NC(=O)c3ccco3)CC2)cc1C
InChIInChI=1S/C19H23N3O2S/c1-13-5-6-16(12-14(13)2)21-19(25)22-9-7-15(8-10-22)20-18(23)17-4-3-11-24-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyLFZWMZBOENVCEY-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.49
Rot. Bonds3

About N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide

N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 3218735) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID3218735
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(NC(=S)N2CCC(NC(=O)c3ccco3)CC2)cc1C
InChIInChI=1S/C19H23N3O2S/c1-13-5-6-16(12-14(13)2)21-19(25)22-9-7-15(8-10-22)20-18(23)17-4-3-11-24-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyLFZWMZBOENVCEY-UHFFFAOYSA-N
XLogP3.49
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]-4-methylbenzamide
CID 43814172
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
4-(furan-2-carbonylamino)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 651346
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
1-(1-benzoylpiperidin-4-yl)-3-(3,4-dimethylphenyl)thiourea
CID 92519816
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
N-[4-(cyclopentylcarbamoylamino)-2-methylphenyl]furan-2-carboxamide
CID 47069326
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
CID 134000252
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833
N-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carbothioamide
CID 5010652
N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108550026

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide (CID 3218735) is N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide is Cc1ccc(NC(=S)N2CCC(NC(=O)c3ccco3)CC2)cc1C.
What is the InChIKey of N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide?
The InChIKey is LFZWMZBOENVCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-5-6-16(12-14(13)2)21-19(25)22-9-7-15(8-10-22)20-18(23)17-4-3-11-24-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide?
N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dimethylphenyl)carbamothioyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 3218735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).