2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide

C9H12ClNO3S — CID 106687268

IUPAC2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide
SMILESCS(=O)CCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C9H12ClNO3S/c1-15(13)6-2-4-11-9(12)7-3-5-14-8(7)10/h3,5H,2,4,6H2,1H3,(H,11,12)
InChIKeyVMPNVZJNXIMORY-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.43
Rot. Bonds5

About 2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide

2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide (PubChem CID 106687268) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide
PubChem CID106687268
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide
SMILESCS(=O)CCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C9H12ClNO3S/c1-15(13)6-2-4-11-9(12)7-3-5-14-8(7)10/h3,5H,2,4,6H2,1H3,(H,11,12)
InChIKeyVMPNVZJNXIMORY-UHFFFAOYSA-N
XLogP1.43
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-propylfuran-3-carboxamide
CID 106685121
N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
CID 106812546
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
CID 106686542
2-chloro-N-pent-4-ynylfuran-3-carboxamide
CID 106812151
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
2-bromo-N-(3-methylsulfinylpropyl)benzamide
CID 115619981
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683
2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
CID 106687261
3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
CID 115646493
2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide (CID 106687268) is 2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide is CS(=O)CCCNC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide?
The InChIKey is VMPNVZJNXIMORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-15(13)6-2-4-11-9(12)7-3-5-14-8(7)10/h3,5H,2,4,6H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide?
2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide has a molecular weight of 249.72 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide is sourced from PubChem (CID 106687268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).