4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide

C20H24N2O4S — CID 17141512

IUPAC4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H24N2O4S/c1-5-13(2)26-15-8-6-14(7-9-15)19(23)22-20(27)21-17-12-16(24-3)10-11-18(17)25-4/h6-13H,5H2,1-4H3,(H2,21,22,23,27)
InChIKeyRHMOIRKGCHZARR-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.01
Rot. Bonds7

About 4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide

4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide (PubChem CID 17141512) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
PubChem CID17141512
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H24N2O4S/c1-5-13(2)26-15-8-6-14(7-9-15)19(23)22-20(27)21-17-12-16(24-3)10-11-18(17)25-4/h6-13H,5H2,1-4H3,(H2,21,22,23,27)
InChIKeyRHMOIRKGCHZARR-UHFFFAOYSA-N
XLogP4.01
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937376
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 817326
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17112879
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-fluorobenzamide
CID 924135
4-bromo-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 54792073
3-bromo-N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 17160721
4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
CID 17141485
N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide
CID 46735867
4-butan-2-yloxy-N-[(2,5-dichlorophenyl)carbamothioyl]benzamide
CID 17141586
N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142646
N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17160769
2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 2937350

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide (CID 17141512) is 4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide is CCC(C)Oc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide?
The InChIKey is RHMOIRKGCHZARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-5-13(2)26-15-8-6-14(7-9-15)19(23)22-20(27)21-17-12-16(24-3)10-11-18(17)25-4/h6-13H,5H2,1-4H3,(H2,21,22,23,27).
What are the key properties of 4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide?
4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17141512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).