3-[benzyl(ethylcarbamothioyl)amino]propanamide

C13H19N3OS — CID 24540900

IUPAC3-[benzyl(ethylcarbamothioyl)amino]propanamide
SMILESCCNC(=S)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H19N3OS/c1-2-15-13(18)16(9-8-12(14)17)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,14,17)(H,15,18)
InChIKeyBYZBPWBTJGBSAV-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.26
Rot. Bonds6

About 3-[benzyl(ethylcarbamothioyl)amino]propanamide

3-[benzyl(ethylcarbamothioyl)amino]propanamide (PubChem CID 24540900) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[benzyl(ethylcarbamothioyl)amino]propanamide.

Molecular Properties

Compound Name3-[benzyl(ethylcarbamothioyl)amino]propanamide
PubChem CID24540900
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-[benzyl(ethylcarbamothioyl)amino]propanamide
SMILESCCNC(=S)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H19N3OS/c1-2-15-13(18)16(9-8-12(14)17)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,14,17)(H,15,18)
InChIKeyBYZBPWBTJGBSAV-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methylcarbamothioyl)amino]propanamide
CID 24540897
3-[benzyl(2-methylprop-2-enylcarbamothioyl)amino]propanamide
CID 24540914
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-4-bromobenzamide
CID 54791812
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-2-propoxybenzamide
CID 28642812
N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3,5-dichlorobenzamide
CID 28642848
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride
CID 119275227
N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 28642838
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
1-benzyl-3-ethyl-1-[(4-methoxyphenyl)methyl]thiourea
CID 17385327

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethylcarbamothioyl)amino]propanamide?
The IUPAC name of 3-[benzyl(ethylcarbamothioyl)amino]propanamide (CID 24540900) is 3-[benzyl(ethylcarbamothioyl)amino]propanamide.
What is the SMILES notation for 3-[benzyl(ethylcarbamothioyl)amino]propanamide?
The canonical SMILES for 3-[benzyl(ethylcarbamothioyl)amino]propanamide is CCNC(=S)N(CCC(N)=O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethylcarbamothioyl)amino]propanamide?
The InChIKey is BYZBPWBTJGBSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-15-13(18)16(9-8-12(14)17)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 3-[benzyl(ethylcarbamothioyl)amino]propanamide?
3-[benzyl(ethylcarbamothioyl)amino]propanamide has a molecular weight of 265.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethylcarbamothioyl)amino]propanamide is sourced from PubChem (CID 24540900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).