N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide

C15H22N2OS — CID 50970896

IUPACN-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide
SMILESCCc1ccccc1NC(=O)CCNC1CCSC1
InChIInChI=1S/C15H22N2OS/c1-2-12-5-3-4-6-14(12)17-15(18)7-9-16-13-8-10-19-11-13/h3-6,13,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyHDHCDXHOVBAKCD-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.67
Rot. Bonds6

About N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide

N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide (PubChem CID 50970896) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide
PubChem CID50970896
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide
SMILESCCc1ccccc1NC(=O)CCNC1CCSC1
InChIInChI=1S/C15H22N2OS/c1-2-12-5-3-4-6-14(12)17-15(18)7-9-16-13-8-10-19-11-13/h3-6,13,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyHDHCDXHOVBAKCD-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-N-(2-ethylphenyl)propanamide
CID 60842650
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 8570754
3-(cyclopropylamino)-N-(2-propoxyphenyl)propanamide
CID 54925076
N-(2-ethylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024292
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(2-bromophenyl)-3-(cyclohexylamino)propanamide
CID 109014255
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
methyl 4-[[3-(2-ethylanilino)-3-oxopropyl]amino]benzoate
CID 109036138
3-(cycloheptylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109031581
N-cyclohexyl-3-(2-ethylanilino)propanamide
CID 109014016

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide (CID 50970896) is N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide is CCc1ccccc1NC(=O)CCNC1CCSC1.
What is the InChIKey of N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide?
The InChIKey is HDHCDXHOVBAKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-12-5-3-4-6-14(12)17-15(18)7-9-16-13-8-10-19-11-13/h3-6,13,16H,2,7-11H2,1H3,(H,17,18).
What are the key properties of N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide?
N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide has a molecular weight of 278.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(thiolan-3-ylamino)propanamide is sourced from PubChem (CID 50970896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).