4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide

C15H20N2O3S — CID 62003963

IUPAC4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(C(N)=S)CCOCC2)cc1
InChIInChI=1S/C15H20N2O3S/c1-17(11-3-5-12(19-2)6-4-11)14(18)15(13(16)21)7-9-20-10-8-15/h3-6H,7-10H2,1-2H3,(H2,16,21)
InChIKeyPCEWPASOVZNQGN-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.74
Rot. Bonds4

About 4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide

4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide (PubChem CID 62003963) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide
PubChem CID62003963
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(C(N)=S)CCOCC2)cc1
InChIInChI=1S/C15H20N2O3S/c1-17(11-3-5-12(19-2)6-4-11)14(18)15(13(16)21)7-9-20-10-8-15/h3-6H,7-10H2,1-2H3,(H2,16,21)
InChIKeyPCEWPASOVZNQGN-UHFFFAOYSA-N
XLogP1.74
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183985
4-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)oxane-4-carboxamide
CID 112659666
N-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 171393515
2-(4-methoxy-N-methylanilino)prop-2-enamide
CID 175949684
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108977748
4-(4-methoxyanilino)oxane-4-carboxamide
CID 54889147
4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide
CID 120927474
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
N-(2-amino-2-oxoethyl)-4-carbamothioyl-N-ethyloxane-4-carboxamide
CID 103102509
4-carbamothioyl-N-[3-(dimethylamino)propyl]-N-ethyloxane-4-carboxamide
CID 102993346
3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide
CID 64891208

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide?
The IUPAC name of 4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide (CID 62003963) is 4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide is COc1ccc(N(C)C(=O)C2(C(N)=S)CCOCC2)cc1.
What is the InChIKey of 4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide?
The InChIKey is PCEWPASOVZNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-17(11-3-5-12(19-2)6-4-11)14(18)15(13(16)21)7-9-20-10-8-15/h3-6H,7-10H2,1-2H3,(H2,16,21).
What are the key properties of 4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide?
4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(4-methoxyphenyl)-N-methyloxane-4-carboxamide is sourced from PubChem (CID 62003963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).