N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide

C15H20N2O2S — CID 18163734

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)NCC(=O)NC1CC1
InChIInChI=1S/C15H20N2O2S/c18-14(16-11-15(19)17-12-8-9-12)7-4-10-20-13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H,16,18)(H,17,19)
InChIKeyVRWODCDCIAYIQW-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.95
Rot. Bonds8

About N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide (PubChem CID 18163734) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide
PubChem CID18163734
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)NCC(=O)NC1CC1
InChIInChI=1S/C15H20N2O2S/c18-14(16-11-15(19)17-12-8-9-12)7-4-10-20-13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H,16,18)(H,17,19)
InChIKeyVRWODCDCIAYIQW-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-(4-phenylsulfanylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320189
2-(4-phenylsulfanylbutanoylamino)acetic acid
CID 43239031
N-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide
CID 55098586
N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide
CID 60661799
[2-(cyclohexylamino)-2-oxoethyl] 4-phenylsulfanylbutanoate
CID 86932164
ethyl 2-(4-phenylsulfanylbutanoylamino)acetate
CID 14708923
N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide
CID 115628160
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-phenylsulfanylbutanamide
CID 80717229
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 51076427
N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
CID 103919353
N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide
CID 71786219

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide (CID 18163734) is N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide is O=C(CCCSc1ccccc1)NCC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide?
The InChIKey is VRWODCDCIAYIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-14(16-11-15(19)17-12-8-9-12)7-4-10-20-13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide has a molecular weight of 292.40 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide is sourced from PubChem (CID 18163734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).