4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide

C14H18N2O2S — CID 4952255

IUPAC4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide
SMILESC=CCNC(=S)NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H18N2O2S/c1-4-9-15-14(19)16-13(17)11-5-7-12(8-6-11)18-10(2)3/h4-8,10H,1,9H2,2-3H3,(H2,15,16,17,19)
InChIKeyJEFPELYCMROVPJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.26
Rot. Bonds5

About 4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide

4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide (PubChem CID 4952255) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide
PubChem CID4952255
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide
SMILESC=CCNC(=S)NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H18N2O2S/c1-4-9-15-14(19)16-13(17)11-5-7-12(8-6-11)18-10(2)3/h4-8,10H,1,9H2,2-3H3,(H2,15,16,17,19)
InChIKeyJEFPELYCMROVPJ-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(prop-2-enylcarbamothioyl)benzamide
CID 54792076
N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17160769
4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4952306
3,4-dimethoxy-N-(prop-2-enylcarbamothioyl)benzamide
CID 18822898
4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 4952176
N-(1-hydroxybutan-2-ylcarbamothioyl)-4-propan-2-yloxybenzamide
CID 17162169
N-[(butanoylamino)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17340176
N-[[4-[(2R)-butan-2-yl]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 1048185
N-[(4-butoxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952309
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide?
The IUPAC name of 4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide (CID 4952255) is 4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide is C=CCNC(=S)NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide?
The InChIKey is JEFPELYCMROVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-9-15-14(19)16-13(17)11-5-7-12(8-6-11)18-10(2)3/h4-8,10H,1,9H2,2-3H3,(H2,15,16,17,19).
What are the key properties of 4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide?
4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide has a molecular weight of 278.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide is sourced from PubChem (CID 4952255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).