2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide

C16H16INO2S — CID 75477996

IUPAC2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2CS(C)=O)c1I
InChIInChI=1S/C16H16INO2S/c1-11-6-5-8-13(15(11)17)16(19)18-14-9-4-3-7-12(14)10-21(2)20/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySAYLCJRAGGNUSF-UHFFFAOYSA-N
MW413.28 g/mol
LogP3.73
Rot. Bonds4

About 2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide

2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide (PubChem CID 75477996) has the molecular formula C16H16INO2S and a molecular weight of 413.28 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide
PubChem CID75477996
Molecular FormulaC16H16INO2S
Molecular Weight413.28 g/mol
Exact Mass412.99
IUPAC Name2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2CS(C)=O)c1I
InChIInChI=1S/C16H16INO2S/c1-11-6-5-8-13(15(11)17)16(19)18-14-9-4-3-7-12(14)10-21(2)20/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeySAYLCJRAGGNUSF-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
CID 60553266
3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
CID 86815311
2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 47188193
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide
CID 75477995
1-(4-hydroxy-2,3,5-trimethylphenyl)-3-[2-(methylsulfinylmethyl)phenyl]urea
CID 119034707
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 139004120
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
CID 103807583
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide?
The IUPAC name of 2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide (CID 75477996) is 2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccccc2CS(C)=O)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide?
The InChIKey is SAYLCJRAGGNUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2S/c1-11-6-5-8-13(15(11)17)16(19)18-14-9-4-3-7-12(14)10-21(2)20/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide?
2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide has a molecular weight of 413.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide is sourced from PubChem (CID 75477996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).