N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide

C15H16N2O3S — CID 34266144

IUPACN-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(CSc1ccccc1)NCCNC(=O)c1ccco1
InChIInChI=1S/C15H16N2O3S/c18-14(11-21-12-5-2-1-3-6-12)16-8-9-17-15(19)13-7-4-10-20-13/h1-7,10H,8-9,11H2,(H,16,18)(H,17,19)
InChIKeyJORDWKIKFQTBLI-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.92
Rot. Bonds7

About N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide

N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide (PubChem CID 34266144) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
PubChem CID34266144
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(CSc1ccccc1)NCCNC(=O)c1ccco1
InChIInChI=1S/C15H16N2O3S/c18-14(11-21-12-5-2-1-3-6-12)16-8-9-17-15(19)13-7-4-10-20-13/h1-7,10H,8-9,11H2,(H,16,18)(H,17,19)
InChIKeyJORDWKIKFQTBLI-UHFFFAOYSA-N
XLogP1.92
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.92
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-[2-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 2993149
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[3-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093492
N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34445616
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
N-[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34452082
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
3-(furan-2-carbonylamino)propanoic acid
CID 762504

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide (CID 34266144) is N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide is O=C(CSc1ccccc1)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is JORDWKIKFQTBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-14(11-21-12-5-2-1-3-6-12)16-8-9-17-15(19)13-7-4-10-20-13/h1-7,10H,8-9,11H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenylsulfanylacetyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 34266144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).