2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide

C10H12ClNO2S — CID 106812382

IUPAC2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
SMILESC=CCSCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C10H12ClNO2S/c1-2-6-15-7-4-12-10(13)8-3-5-14-9(8)11/h2-3,5H,1,4,6-7H2,(H,12,13)
InChIKeyQNJNUCYMIIWLMA-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.58
Rot. Bonds6

About 2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide

2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide (PubChem CID 106812382) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
PubChem CID106812382
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
SMILESC=CCSCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C10H12ClNO2S/c1-2-6-15-7-4-12-10(13)8-3-5-14-9(8)11/h2-3,5H,1,4,6-7H2,(H,12,13)
InChIKeyQNJNUCYMIIWLMA-UHFFFAOYSA-N
XLogP2.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
CID 106898564
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
5-amino-2-chloro-N-(2-prop-2-enylsulfanylethyl)pyridine-3-carboxamide
CID 106425075
2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106430283
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
CID 106812546
4-amino-2-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425113
2-chloro-N-pent-4-ynylfuran-3-carboxamide
CID 106812151
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
CID 106687261
3,4-dihydroxy-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 103956768
2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide
CID 106687268

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide (CID 106812382) is 2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide is C=CCSCCNC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide?
The InChIKey is QNJNUCYMIIWLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-2-6-15-7-4-12-10(13)8-3-5-14-9(8)11/h2-3,5H,1,4,6-7H2,(H,12,13).
What are the key properties of 2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide?
2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide has a molecular weight of 245.73 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide is sourced from PubChem (CID 106812382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).