N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide

C16H24N2O2S — CID 66255768

IUPACN-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCSc1ccccc1
InChIInChI=1S/C16H24N2O2S/c1-2-8-17-15-12-20-11-14(15)16(19)18-9-10-21-13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3,(H,18,19)
InChIKeyKTABWPGBWGONJY-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.91
Rot. Bonds8

About N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide

N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66255768) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66255768
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCSc1ccccc1
InChIInChI=1S/C16H24N2O2S/c1-2-8-17-15-12-20-11-14(15)16(19)18-9-10-21-13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3,(H,18,19)
InChIKeyKTABWPGBWGONJY-UHFFFAOYSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 113487594
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66256873
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
2-(2-phenylsulfanylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974542
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
2-(2-phenylsulfanylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978477
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256718
4-(ethylamino)-N-(2-phenylpropyl)oxolane-3-carboxamide
CID 66260251
4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587719

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide (CID 66255768) is N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCCSc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is KTABWPGBWGONJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-8-17-15-12-20-11-14(15)16(19)18-9-10-21-13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3,(H,18,19).
What are the key properties of N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide?
N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66255768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).