N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide

C17H24N2O2S — CID 4943225

IUPACN-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESCCCOc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2S/c1-2-12-21-15-10-8-14(9-11-15)18-17(22)19-16(20)13-6-4-3-5-7-13/h8-11,13H,2-7,12H2,1H3,(H2,18,19,20,22)
InChIKeyMRVPEZDSNDZGOR-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.87
Rot. Bonds5

About N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide

N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide (PubChem CID 4943225) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide
PubChem CID4943225
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide
SMILESCCCOc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2S/c1-2-12-21-15-10-8-14(9-11-15)18-17(22)19-16(20)13-6-4-3-5-7-13/h8-11,13H,2-7,12H2,1H3,(H2,18,19,20,22)
InChIKeyMRVPEZDSNDZGOR-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.87
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-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17130720
N-[(4-heptoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 4951619
N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924408
2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide
CID 4943273
N-cyclohexyl-4-[(4-heptoxybenzoyl)carbamothioylamino]benzamide
CID 43878562
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide
CID 17137889
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]tetradecanamide
CID 54791321
N-[(4-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977
2-chloro-N-[(4-propoxyphenyl)carbamothioyl]benzamide
CID 4943184
3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073
N-[(4-bromophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924375

Frequently Asked Questions

What is the IUPAC name of N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide (CID 4943225) is N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide is CCCOc1ccc(NC(=S)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
The InChIKey is MRVPEZDSNDZGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-2-12-21-15-10-8-14(9-11-15)18-17(22)19-16(20)13-6-4-3-5-7-13/h8-11,13H,2-7,12H2,1H3,(H2,18,19,20,22).
What are the key properties of N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide?
N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 4943225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).