5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide

C20H22ClNO3S — CID 22554607

IUPAC5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(CS(=O)c2ccccc2Cl)o1
InChIInChI=1S/C20H22ClNO3S/c21-17-8-4-5-9-19(17)26(24)14-16-10-11-18(25-16)20(23)22-13-12-15-6-2-1-3-7-15/h4-6,8-11H,1-3,7,12-14H2,(H,22,23)
InChIKeyVTFYMEZSJYWHNM-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.86
Rot. Bonds7

About 5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide

5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide (PubChem CID 22554607) has the molecular formula C20H22ClNO3S and a molecular weight of 391.92 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
PubChem CID22554607
Molecular FormulaC20H22ClNO3S
Molecular Weight391.92 g/mol
Exact Mass391.10
IUPAC Name5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(CS(=O)c2ccccc2Cl)o1
InChIInChI=1S/C20H22ClNO3S/c21-17-8-4-5-9-19(17)26(24)14-16-10-11-18(25-16)20(23)22-13-12-15-6-2-1-3-7-15/h4-6,8-11H,1-3,7,12-14H2,(H,22,23)
InChIKeyVTFYMEZSJYWHNM-UHFFFAOYSA-N
XLogP4.86
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 20859472
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477025
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 42341971
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
CID 108993986
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554556
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 20859545

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide (CID 22554607) is 5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(CS(=O)c2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is VTFYMEZSJYWHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3S/c21-17-8-4-5-9-19(17)26(24)14-16-10-11-18(25-16)20(23)22-13-12-15-6-2-1-3-7-15/h4-6,8-11H,1-3,7,12-14H2,(H,22,23).
What are the key properties of 5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 22554607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).