2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide

C19H23N3OS — CID 39160595

IUPAC2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide
SMILESCC(C)N(CC(=O)Nc1ccccc1C(N)=S)Cc1ccccc1
InChIInChI=1S/C19H23N3OS/c1-14(2)22(12-15-8-4-3-5-9-15)13-18(23)21-17-11-7-6-10-16(17)19(20)24/h3-11,14H,12-13H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyFNUJVCKRTGDVBV-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.17
Rot. Bonds7

About 2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide

2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide (PubChem CID 39160595) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide
PubChem CID39160595
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide
SMILESCC(C)N(CC(=O)Nc1ccccc1C(N)=S)Cc1ccccc1
InChIInChI=1S/C19H23N3OS/c1-14(2)22(12-15-8-4-3-5-9-15)13-18(23)21-17-11-7-6-10-16(17)19(20)24/h3-11,14H,12-13H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyFNUJVCKRTGDVBV-UHFFFAOYSA-N
XLogP3.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide (CID 39160595) is 2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide is CC(C)N(CC(=O)Nc1ccccc1C(N)=S)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide?
The InChIKey is FNUJVCKRTGDVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14(2)22(12-15-8-4-3-5-9-15)13-18(23)21-17-11-7-6-10-16(17)19(20)24/h3-11,14H,12-13H2,1-2H3,(H2,20,24)(H,21,23).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide?
2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-(2-carbamothioylphenyl)acetamide is sourced from PubChem (CID 39160595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).