2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide

C21H23N3O3S — CID 26168076

IUPAC2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H23N3O3S/c1-27-18-8-4-3-7-17(18)19(25)23-21(28)22-16-11-9-15(10-12-16)20(26)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,22,23,25,28)
InChIKeyOGBRBMFCNOUUOE-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.45
Rot. Bonds4

About 2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide

2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide (PubChem CID 26168076) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
PubChem CID26168076
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H23N3O3S/c1-27-18-8-4-3-7-17(18)19(25)23-21(28)22-16-11-9-15(10-12-16)20(26)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,22,23,25,28)
InChIKeyOGBRBMFCNOUUOE-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.45
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-(2-ethoxyethoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26168152
2-chloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17196594
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17199366
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-nitrobenzamide
CID 17199291
(E)-3-(2-methoxyphenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 26168074
N-[1-[4-(azepane-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55991059
N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17195062
2-methoxy-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26158648
1-(3,5-dimethoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 17300942
N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1009742
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
2-chloro-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17179770

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide?
The IUPAC name of 2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide (CID 26168076) is 2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide is COc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide?
The InChIKey is OGBRBMFCNOUUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-27-18-8-4-3-7-17(18)19(25)23-21(28)22-16-11-9-15(10-12-16)20(26)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,22,23,25,28).
What are the key properties of 2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide?
2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide has a molecular weight of 397.50 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 26168076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).