N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide

C16H18N2O3S — CID 38031404

IUPACN-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide
SMILESO=C(CNC(=O)c1ccoc1)NCCCSc1ccccc1
InChIInChI=1S/C16H18N2O3S/c19-15(11-18-16(20)13-7-9-21-12-13)17-8-4-10-22-14-5-2-1-3-6-14/h1-3,5-7,9,12H,4,8,10-11H2,(H,17,19)(H,18,20)
InChIKeyVQAOMVGHJWQXDG-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.31
Rot. Bonds8

About N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide

N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide (PubChem CID 38031404) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide
PubChem CID38031404
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide
SMILESO=C(CNC(=O)c1ccoc1)NCCCSc1ccccc1
InChIInChI=1S/C16H18N2O3S/c19-15(11-18-16(20)13-7-9-21-12-13)17-8-4-10-22-14-5-2-1-3-6-14/h1-3,5-7,9,12H,4,8,10-11H2,(H,17,19)(H,18,20)
InChIKeyVQAOMVGHJWQXDG-UHFFFAOYSA-N
XLogP2.31
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.31
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

3-bromo-N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]benzamide
CID 27828795
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 27887851
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
CID 90500499
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
3-nitro-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 40728196
N-[3-(2-aminoethoxy)propyl]furan-3-carboxamide
CID 106307825
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
CID 38567183
N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide
CID 46450491

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide (CID 38031404) is N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide is O=C(CNC(=O)c1ccoc1)NCCCSc1ccccc1.
What is the InChIKey of N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide?
The InChIKey is VQAOMVGHJWQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-15(11-18-16(20)13-7-9-21-12-13)17-8-4-10-22-14-5-2-1-3-6-14/h1-3,5-7,9,12H,4,8,10-11H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide?
N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]furan-3-carboxamide is sourced from PubChem (CID 38031404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).