N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide

C24H29N3O2S — CID 28637846

IUPACN-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
SMILESCC1CCN(C(=O)c2cccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)c2)CC1
InChIInChI=1S/C24H29N3O2S/c1-16(2)18-7-9-19(10-8-18)22(28)26-24(30)25-21-6-4-5-20(15-21)23(29)27-13-11-17(3)12-14-27/h4-10,15-17H,11-14H2,1-3H3,(H2,25,26,28,30)
InChIKeyOAASLUZWLAAFAC-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.81
Rot. Bonds4

About N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide

N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide (PubChem CID 28637846) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
PubChem CID28637846
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
SMILESCC1CCN(C(=O)c2cccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)c2)CC1
InChIInChI=1S/C24H29N3O2S/c1-16(2)18-7-9-19(10-8-18)22(28)26-24(30)25-21-6-4-5-20(15-21)23(29)27-13-11-17(3)12-14-27/h4-10,15-17H,11-14H2,1-3H3,(H2,25,26,28,30)
InChIKeyOAASLUZWLAAFAC-UHFFFAOYSA-N
XLogP4.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.81
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

methyl 3-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 28637844
3-iodo-4-methoxy-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 43886905
3-bromo-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 54791483
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
4-chloro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26161998
3-bromo-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 28637814
N-[(3-chlorophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 883458
1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-prop-2-enylthiourea
CID 28637708
N-[[3-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 26159935
3-ethoxy-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17179847
2-chloro-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17179770
N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-nitrobenzamide
CID 17179803

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide (CID 28637846) is N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide is CC1CCN(C(=O)c2cccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)c2)CC1.
What is the InChIKey of N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide?
The InChIKey is OAASLUZWLAAFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-16(2)18-7-9-19(10-8-18)22(28)26-24(30)25-21-6-4-5-20(15-21)23(29)27-13-11-17(3)12-14-27/h4-10,15-17H,11-14H2,1-3H3,(H2,25,26,28,30).
What are the key properties of N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide?
N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide has a molecular weight of 423.58 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 28637846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).