N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide

C15H22N2OS — CID 61487956

IUPACN-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide
SMILESCCN(C(=O)CNCCSc1ccccc1)C1CC1
InChIInChI=1S/C15H22N2OS/c1-2-17(13-8-9-13)15(18)12-16-10-11-19-14-6-4-3-5-7-14/h3-7,13,16H,2,8-12H2,1H3
InChIKeyAKEJLGMIPCFRRQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.38
Rot. Bonds8

About N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide

N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide (PubChem CID 61487956) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide
PubChem CID61487956
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide
SMILESCCN(C(=O)CNCCSc1ccccc1)C1CC1
InChIInChI=1S/C15H22N2OS/c1-2-17(13-8-9-13)15(18)12-16-10-11-19-14-6-4-3-5-7-14/h3-7,13,16H,2,8-12H2,1H3
InChIKeyAKEJLGMIPCFRRQ-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(2-ethoxyethylamino)-N-ethylacetamide
CID 60976287
ethyl 2-(2-phenylsulfanylethylamino)acetate
CID 60681841
N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide
CID 60661799
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465978
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-phenylsulfanylpropanamide
CID 94814769
N-cyclopropyl-N-ethyl-2-(3-methylbutylamino)acetamide
CID 60975211
N-cyclopropyl-N-ethyl-2-(phenylmethoxyamino)acetamide
CID 64974289
N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide
CID 54956869
N-benzyl-N-cyclopropyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119703228
N-cyclopropyl-2-[3-(diethylamino)propylamino]-N-ethylacetamide
CID 54957328
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide
CID 60698063

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide (CID 61487956) is N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide is CCN(C(=O)CNCCSc1ccccc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide?
The InChIKey is AKEJLGMIPCFRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-17(13-8-9-13)15(18)12-16-10-11-19-14-6-4-3-5-7-14/h3-7,13,16H,2,8-12H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide?
N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide has a molecular weight of 278.42 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide is sourced from PubChem (CID 61487956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).