2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide

C20H21N3O2S — CID 17186809

IUPAC2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccccc1NC(=S)NC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-2-23(15-8-4-3-5-9-15)19(25)16-10-6-7-11-17(16)21-20(26)22-18(24)14-12-13-14/h3-11,14H,2,12-13H2,1H3,(H2,21,22,24,26)
InChIKeyJTZSUUWYRDVYTN-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.58
Rot. Bonds5

About 2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide

2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide (PubChem CID 17186809) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide
PubChem CID17186809
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccccc1NC(=S)NC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-2-23(15-8-4-3-5-9-15)19(25)16-10-6-7-11-17(16)21-20(26)22-18(24)14-12-13-14/h3-11,14H,2,12-13H2,1H3,(H2,21,22,24,26)
InChIKeyJTZSUUWYRDVYTN-UHFFFAOYSA-N
XLogP3.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17186892
methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate
CID 17186901
2-(cyclopropanecarbonylcarbamothioylamino)-N-(2-hydroxyethyl)benzamide
CID 17351273
5-bromo-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 17186889
2-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-ethyl-N-phenylbenzamide
CID 17186891
5-bromo-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17186882
N-ethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-phenylbenzamide
CID 17186906
3-phenylpropyl 4-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 17186834
5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid
CID 17186685
N-[2-(N-ethylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47327202
N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
CID 916713
2-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-ethyl-N-phenylbenzamide
CID 17186895

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide?
The IUPAC name of 2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide (CID 17186809) is 2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccccc1NC(=S)NC(=O)C1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide?
The InChIKey is JTZSUUWYRDVYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-23(15-8-4-3-5-9-15)19(25)16-10-6-7-11-17(16)21-20(26)22-18(24)14-12-13-14/h3-11,14H,2,12-13H2,1H3,(H2,21,22,24,26).
What are the key properties of 2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide?
2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide has a molecular weight of 367.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylcarbamothioylamino)-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 17186809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).