4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide

C19H29N3O2S — CID 17196512

IUPAC4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H29N3O2S/c1-6-12-22(13-7-2)16(23)14-8-10-15(11-9-14)20-18(25)21-17(24)19(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H2,20,21,24,25)
InChIKeyNGKWRQPXQUCJPS-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.81
Rot. Bonds6

About 4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide

4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide (PubChem CID 17196512) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide
PubChem CID17196512
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H29N3O2S/c1-6-12-22(13-7-2)16(23)14-8-10-15(11-9-14)20-18(25)21-17(24)19(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H2,20,21,24,25)
InChIKeyNGKWRQPXQUCJPS-UHFFFAOYSA-N
XLogP3.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-4-[[4-(dipropylcarbamoyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate
CID 17196511
ethyl 4-[[4-(dipropylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate
CID 17196510
methyl 3-[[4-(dipropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17196582
N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 17196497
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 4659447
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]-N,N-dipropylbenzamide
CID 17196495
2,2-dimethyl-N-[(4-propoxyphenyl)carbamothioyl]propanamide
CID 4943273
4-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N,N-dipropylbenzamide
CID 17196571
4-[(2-aminoacetyl)amino]-N,N-dipropylbenzamide
CID 119282805
methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109049092
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide?
The IUPAC name of 4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide (CID 17196512) is 4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide?
The canonical SMILES for 4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide?
The InChIKey is NGKWRQPXQUCJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-6-12-22(13-7-2)16(23)14-8-10-15(11-9-14)20-18(25)21-17(24)19(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H2,20,21,24,25).
What are the key properties of 4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide?
4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide has a molecular weight of 363.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoylcarbamothioylamino)-N,N-dipropylbenzamide is sourced from PubChem (CID 17196512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).