4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide

C19H21N3O3S — CID 17219121

IUPAC4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-12-20-17(23)13-4-8-15(9-5-13)21-19(26)22-18(24)14-6-10-16(25-2)11-7-14/h4-11H,3,12H2,1-2H3,(H,20,23)(H2,21,22,24,26)
InChIKeyATFQPWJZHODVJH-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.96
Rot. Bonds6

About 4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide

4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide (PubChem CID 17219121) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide
PubChem CID17219121
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-12-20-17(23)13-4-8-15(9-5-13)21-19(26)22-18(24)14-6-10-16(25-2)11-7-14/h4-11H,3,12H2,1-2H3,(H,20,23)(H2,21,22,24,26)
InChIKeyATFQPWJZHODVJH-UHFFFAOYSA-N
XLogP2.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977
4-[(4-butoxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17218467
3-iodo-4-methoxy-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17219122
3-bromo-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 54791512
N-ethyl-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 17234514
4-methoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 1295042
3-[(4-methoxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17219248
3-(2-methylpropoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17219220
methyl 4-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17218528
4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17218520
3-[(4-propan-2-yloxybenzoyl)carbamothioylamino]-N-propylbenzamide
CID 17223070
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propylbenzamide
CID 54837977

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide?
The IUPAC name of 4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide (CID 17219121) is 4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide.
What is the SMILES notation for 4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide?
The canonical SMILES for 4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide?
The InChIKey is ATFQPWJZHODVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-12-20-17(23)13-4-8-15(9-5-13)21-19(26)22-18(24)14-6-10-16(25-2)11-7-14/h4-11H,3,12H2,1-2H3,(H,20,23)(H2,21,22,24,26).
What are the key properties of 4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide?
4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide has a molecular weight of 371.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxybenzoyl)carbamothioylamino]-N-propylbenzamide is sourced from PubChem (CID 17219121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).