4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide

C15H23N3OS — CID 24690011

IUPAC4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H23N3OS/c1-3-18(4-2)11-5-10-17-15(19)13-8-6-12(7-9-13)14(16)20/h6-9H,3-5,10-11H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyCTZWLUVUHWAZTD-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.78
Rot. Bonds8

About 4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide

4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide (PubChem CID 24690011) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
PubChem CID24690011
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H23N3OS/c1-3-18(4-2)11-5-10-17-15(19)13-8-6-12(7-9-13)14(16)20/h6-9H,3-5,10-11H2,1-2H3,(H2,16,20)(H,17,19)
InChIKeyCTZWLUVUHWAZTD-UHFFFAOYSA-N
XLogP1.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide
CID 21151365
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
N-(4-amino-4-oxobutyl)-4-carbamothioylbenzamide
CID 60863237
N-[3-(diethylamino)propyl]-4-nitrobenzamide
CID 3278137
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
N-[3-[octyl(pentyl)amino]propyl]-4-[4-[3-[octyl(pentyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139956044

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide?
The IUPAC name of 4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide (CID 24690011) is 4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide.
What is the SMILES notation for 4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide?
The canonical SMILES for 4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide is CCN(CC)CCCNC(=O)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide?
The InChIKey is CTZWLUVUHWAZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-18(4-2)11-5-10-17-15(19)13-8-6-12(7-9-13)14(16)20/h6-9H,3-5,10-11H2,1-2H3,(H2,16,20)(H,17,19).
What are the key properties of 4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide?
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide has a molecular weight of 293.44 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide is sourced from PubChem (CID 24690011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).