2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide

C16H23N3OS — CID 61441785

IUPAC2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide
SMILESCCCCN(CC(=O)Nc1ccccc1C(N)=S)C1CC1
InChIInChI=1S/C16H23N3OS/c1-2-3-10-19(12-8-9-12)11-15(20)18-14-7-5-4-6-13(14)16(17)21/h4-7,12H,2-3,8-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyGWJNRFVZQKWCFB-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.52
Rot. Bonds8

About 2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide

2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide (PubChem CID 61441785) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide
PubChem CID61441785
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide
SMILESCCCCN(CC(=O)Nc1ccccc1C(N)=S)C1CC1
InChIInChI=1S/C16H23N3OS/c1-2-3-10-19(12-8-9-12)11-15(20)18-14-7-5-4-6-13(14)16(17)21/h4-7,12H,2-3,8-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyGWJNRFVZQKWCFB-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43270414
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methylphenyl)acetamide
CID 43319569
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
N-(2-carbamothioylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63981248
N-(2-acetylphenyl)-2-[cyclopropyl(2-methylpropyl)amino]acetamide
CID 43065753
2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide
CID 111457011
N-(2-tert-butylphenyl)-2-[cyclopropyl(ethyl)amino]acetamide
CID 86928197
N-(2-acetylphenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 30891872
ethyl 2-[cyclopropyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetate
CID 47545412
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477465
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide?
The IUPAC name of 2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide (CID 61441785) is 2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide is CCCCN(CC(=O)Nc1ccccc1C(N)=S)C1CC1.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide?
The InChIKey is GWJNRFVZQKWCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-3-10-19(12-8-9-12)11-15(20)18-14-7-5-4-6-13(14)16(17)21/h4-7,12H,2-3,8-11H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide?
2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide is sourced from PubChem (CID 61441785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).