2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide

C12H16INOS — CID 141307240

IUPAC2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)(C)NC(=O)c1ccccc1I
InChIInChI=1S/C12H16INOS/c1-12(2,8-16-3)14-11(15)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyMZDWZXVBCTUBJV-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.16
Rot. Bonds4

About 2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide

2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 141307240) has the molecular formula C12H16INOS and a molecular weight of 349.24 g/mol. Its IUPAC name is 2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide
PubChem CID141307240
Molecular FormulaC12H16INOS
Molecular Weight349.24 g/mol
Exact Mass349.00
IUPAC Name2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)(C)NC(=O)c1ccccc1I
InChIInChI=1S/C12H16INOS/c1-12(2,8-16-3)14-11(15)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyMZDWZXVBCTUBJV-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.16
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

3-[(2-iodobenzoyl)amino]-3-methyl-4-methylsulfanylbutanoic acid
CID 141384504
N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 22066223
2-iodo-N-(2-phenylpropan-2-yl)benzamide
CID 47444713
3-fluoro-1-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide
CID 142678346
3-bromo-1-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide
CID 142678350
1-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide
CID 10118142
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
CID 97339820
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
2-iodo-N-prop-2-ynylbenzamide
CID 18110013
(2R)-2-[(2-iodobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 113353045
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
CID 66178734

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide (CID 141307240) is 2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)(C)NC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is MZDWZXVBCTUBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INOS/c1-12(2,8-16-3)14-11(15)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide?
2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 349.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 141307240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).