N-(benzenecarbonothioyl)-N-propylbenzamide

C17H17NOS — CID 71326670

IUPACN-(benzenecarbonothioyl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C17H17NOS/c1-2-13-18(16(19)14-9-5-3-6-10-14)17(20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyWZRODQDZMJXDCG-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.91
Rot. Bonds4

About N-(benzenecarbonothioyl)-N-propylbenzamide

N-(benzenecarbonothioyl)-N-propylbenzamide (PubChem CID 71326670) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(benzenecarbonothioyl)-N-propylbenzamide.

Molecular Properties

Compound NameN-(benzenecarbonothioyl)-N-propylbenzamide
PubChem CID71326670
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN-(benzenecarbonothioyl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C17H17NOS/c1-2-13-18(16(19)14-9-5-3-6-10-14)17(20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChIKeyWZRODQDZMJXDCG-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butanoyl-N-propylbenzamide
CID 70941556
N-ethanethioyl-N-ethylbenzamide
CID 45118543
N-(benzenecarbonothioyl)-N-[2-[bis(benzenecarbonothioyl)amino]ethyl]benzenecarbothioamide
CID 88799904
N-carbamothioyl-N-decylbenzamide
CID 161130418
1-(benzenecarbonothioyl)-3,3-diethyl-1-methylurea
CID 13184586
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
N,N-dibutylbenzenecarbothioamide
CID 12716080
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
N-acetyl-N-(2,2-dimethylpropyl)benzamide
CID 142599008
CID 174412487
CID 174412487
N'-butanoyl-N-methylbenzohydrazide
CID 151710064
N-(ethylcarbamothioyl)-N-phenylbenzamide
CID 57059223

Frequently Asked Questions

What is the IUPAC name of N-(benzenecarbonothioyl)-N-propylbenzamide?
The IUPAC name of N-(benzenecarbonothioyl)-N-propylbenzamide (CID 71326670) is N-(benzenecarbonothioyl)-N-propylbenzamide.
What is the SMILES notation for N-(benzenecarbonothioyl)-N-propylbenzamide?
The canonical SMILES for N-(benzenecarbonothioyl)-N-propylbenzamide is CCCN(C(=O)c1ccccc1)C(=S)c1ccccc1.
What is the InChIKey of N-(benzenecarbonothioyl)-N-propylbenzamide?
The InChIKey is WZRODQDZMJXDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-13-18(16(19)14-9-5-3-6-10-14)17(20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3.
What are the key properties of N-(benzenecarbonothioyl)-N-propylbenzamide?
N-(benzenecarbonothioyl)-N-propylbenzamide has a molecular weight of 283.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenecarbonothioyl)-N-propylbenzamide is sourced from PubChem (CID 71326670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).