3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide

C19H22N2O3S — CID 17150032

IUPAC3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(OC)c2)c1
InChIInChI=1S/C19H22N2O3S/c1-4-13(2)24-17-10-5-7-14(11-17)18(22)21-19(25)20-15-8-6-9-16(12-15)23-3/h5-13H,4H2,1-3H3,(H2,20,21,22,25)
InChIKeyQWPUYDCUXPYBFY-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.00
Rot. Bonds6

About 3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide

3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide (PubChem CID 17150032) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
PubChem CID17150032
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(OC)c2)c1
InChIInChI=1S/C19H22N2O3S/c1-4-13(2)24-17-10-5-7-14(11-17)18(22)21-19(25)20-15-8-6-9-16(12-15)23-3/h5-13H,4H2,1-3H3,(H2,20,21,22,25)
InChIKeyQWPUYDCUXPYBFY-UHFFFAOYSA-N
XLogP4.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butan-2-yloxy-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170066
3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-ethylbenzamide
CID 17231000
N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-butan-2-yloxybenzamide
CID 17187764
3-butan-2-yloxy-N-[(4-methylphenyl)carbamothioyl]benzamide
CID 17150017
4-butan-2-yloxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154943
3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N,N-dipropylbenzamide
CID 43877310
3-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 17197776
N-[(3-butan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17161719
N-[(3-butan-2-yloxyphenyl)carbamothioyl]-2-methylpropanamide
CID 17161721
3-butan-2-yloxy-N-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]benzamide
CID 43912172
3-butan-2-yloxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17149996
N-benzyl-3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-methylbenzamide
CID 43877386

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide (CID 17150032) is 3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide is CCC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(OC)c2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
The InChIKey is QWPUYDCUXPYBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-13(2)24-17-10-5-7-14(11-17)18(22)21-19(25)20-15-8-6-9-16(12-15)23-3/h5-13H,4H2,1-3H3,(H2,20,21,22,25).
What are the key properties of 3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide?
3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17150032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).