N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide

C15H21N3O3S — CID 4955656

IUPACN-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide
SMILESCCCCCC(=O)NNC(=S)NC(=O)c1ccccc1OC
InChIInChI=1S/C15H21N3O3S/c1-3-4-5-10-13(19)17-18-15(22)16-14(20)11-8-6-7-9-12(11)21-2/h6-9H,3-5,10H2,1-2H3,(H,17,19)(H2,16,18,20,22)
InChIKeySLGJFZBUTBLLSQ-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.91
Rot. Bonds6

About N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide

N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide (PubChem CID 4955656) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide
PubChem CID4955656
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide
SMILESCCCCCC(=O)NNC(=S)NC(=O)c1ccccc1OC
InChIInChI=1S/C15H21N3O3S/c1-3-4-5-10-13(19)17-18-15(22)16-14(20)11-8-6-7-9-12(11)21-2/h6-9H,3-5,10H2,1-2H3,(H,17,19)(H2,16,18,20,22)
InChIKeySLGJFZBUTBLLSQ-UHFFFAOYSA-N
XLogP1.91
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide 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

2-pentoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide
CID 4947301
2-methoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4980684
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-methoxybenzamide
CID 4980812
2-butoxy-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]benzamide
CID 4941766
2-butoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide
CID 4941755
N-butyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 17149477
N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
CID 4922802
2-methoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4980698
2-butoxy-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4941756
N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-pentoxybenzamide
CID 4947294
N'-[2-(2-methoxyphenoxy)acetyl]tetradecanehydrazide
CID 54792289
N-[(butanoylamino)carbamothioyl]-2-methylbenzamide
CID 17340131

Frequently Asked Questions

What is the IUPAC name of N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide?
The IUPAC name of N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide (CID 4955656) is N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide?
The canonical SMILES for N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide is CCCCCC(=O)NNC(=S)NC(=O)c1ccccc1OC.
What is the InChIKey of N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide?
The InChIKey is SLGJFZBUTBLLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-4-5-10-13(19)17-18-15(22)16-14(20)11-8-6-7-9-12(11)21-2/h6-9H,3-5,10H2,1-2H3,(H,17,19)(H2,16,18,20,22).
What are the key properties of N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide?
N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide has a molecular weight of 323.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide is sourced from PubChem (CID 4955656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).