N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide

C14H14ClNO3S — CID 119045553

IUPACN-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CS(=O)c1ccoc1C
InChIInChI=1S/C14H14ClNO3S/c1-9-3-4-11(15)7-12(9)16-14(17)8-20(18)13-5-6-19-10(13)2/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyIVEDWLDOTQRMHI-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.30
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide

N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide (PubChem CID 119045553) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide
PubChem CID119045553
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CS(=O)c1ccoc1C
InChIInChI=1S/C14H14ClNO3S/c1-9-3-4-11(15)7-12(9)16-14(17)8-20(18)13-5-6-19-10(13)2/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyIVEDWLDOTQRMHI-UHFFFAOYSA-N
XLogP3.30
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81176455
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 9272793
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660360
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333255
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35563379
4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide
CID 97225450
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide (CID 119045553) is N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide is Cc1ccc(Cl)cc1NC(=O)CS(=O)c1ccoc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide?
The InChIKey is IVEDWLDOTQRMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-9-3-4-11(15)7-12(9)16-14(17)8-20(18)13-5-6-19-10(13)2/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide?
N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide has a molecular weight of 311.79 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2-methylfuran-3-yl)sulfinylacetamide is sourced from PubChem (CID 119045553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).