N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide

C21H26N2O2S — CID 26163959

IUPACN-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(=S)Nc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C21H26N2O2S/c1-15(2)12-13-25-19-10-8-18(9-11-19)22-21(26)23-20(24)14-17-7-5-4-6-16(17)3/h4-11,15H,12-14H2,1-3H3,(H2,22,23,24,26)
InChIKeyRKSGGUOKVPAIDD-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.48
Rot. Bonds7

About N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide

N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide (PubChem CID 26163959) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide
PubChem CID26163959
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(=S)Nc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C21H26N2O2S/c1-15(2)12-13-25-19-10-8-18(9-11-19)22-21(26)23-20(24)14-17-7-5-4-6-16(17)3/h4-11,15H,12-14H2,1-3H3,(H2,22,23,24,26)
InChIKeyRKSGGUOKVPAIDD-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide 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

propyl 4-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxobutanoate
CID 4950056
2,2-dimethyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]propanamide
CID 4950054
N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
CID 26163737
2-(2-methylphenyl)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 26163358
4-methyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 4950008
2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide
CID 54786775
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949731
2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide
CID 26164125
N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4948889
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4950091
methyl 4-[[4-(3-methylbutoxy)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178604
ethyl (E)-4-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxobut-2-enoate
CID 6235226

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide (CID 26163959) is N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC(=S)Nc1ccc(OCCC(C)C)cc1.
What is the InChIKey of N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide?
The InChIKey is RKSGGUOKVPAIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15(2)12-13-25-19-10-8-18(9-11-19)22-21(26)23-20(24)14-17-7-5-4-6-16(17)3/h4-11,15H,12-14H2,1-3H3,(H2,22,23,24,26).
What are the key properties of N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide?
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide has a molecular weight of 370.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 26163959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).