N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide

C14H18N2O2S — CID 4924408

IUPACN-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide
SMILESCOc1ccc(NC(=S)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C14H18N2O2S/c1-18-12-8-6-11(7-9-12)15-14(19)16-13(17)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H2,15,16,17,19)
InChIKeyKOYONMGLWMZQNE-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.70
Rot. Bonds3

About N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide

N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide (PubChem CID 4924408) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide
PubChem CID4924408
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide
SMILESCOc1ccc(NC(=S)NC(=O)C2CCCC2)cc1
InChIInChI=1S/C14H18N2O2S/c1-18-12-8-6-11(7-9-12)15-14(19)16-13(17)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H2,15,16,17,19)
InChIKeyKOYONMGLWMZQNE-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.70
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-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 4943225
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
N-[(4-bromophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924375
N-[(4-chlorophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924371
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17130720
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
4-(cyclohexanecarbonylcarbamothioylamino)-N,N-dimethylbenzamide
CID 17231493
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
N-[(3,4-dimethoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 54781579
N-[(4-nitrophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924453
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
N-[(4-heptoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 4951619

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide (CID 4924408) is N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide is COc1ccc(NC(=S)NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide?
The InChIKey is KOYONMGLWMZQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-18-12-8-6-11(7-9-12)15-14(19)16-13(17)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H2,15,16,17,19).
What are the key properties of N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide?
N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide is sourced from PubChem (CID 4924408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).