N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide

C16H23N3OS — CID 43270414

IUPACN-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1ccccc1C(N)=S)C1CC1
InChIInChI=1S/C16H23N3OS/c1-2-10-19(12-7-8-12)11-9-15(20)18-14-6-4-3-5-13(14)16(17)21/h3-6,12H,2,7-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyKLTNAEMZLUELKC-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.52
Rot. Bonds8

About N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide

N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide (PubChem CID 43270414) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide
PubChem CID43270414
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1ccccc1C(N)=S)C1CC1
InChIInChI=1S/C16H23N3OS/c1-2-10-19(12-7-8-12)11-9-15(20)18-14-6-4-3-5-13(14)16(17)21/h3-6,12H,2,7-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyKLTNAEMZLUELKC-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

2-[butyl(cyclopropyl)amino]-N-(2-carbamothioylphenyl)acetamide
CID 61441785
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
N-(3-amino-2-methylphenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263763
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43264184
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
N-(2-carbamothioylphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427702
N-[2-(aminomethyl)phenyl]-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61453286
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62619022
3-[[cyclopropyl(propyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107115319
N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43106577
N-(2-carbamothioylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29002285

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide?
The IUPAC name of N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide (CID 43270414) is N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide is CCCN(CCC(=O)Nc1ccccc1C(N)=S)C1CC1.
What is the InChIKey of N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide?
The InChIKey is KLTNAEMZLUELKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-10-19(12-7-8-12)11-9-15(20)18-14-6-4-3-5-13(14)16(17)21/h3-6,12H,2,7-11H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide?
N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide 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 N-(2-carbamothioylphenyl)-3-[cyclopropyl(propyl)amino]propanamide is sourced from PubChem (CID 43270414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).