6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide

C14H14BrNO2S — CID 113278435

IUPAC6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
SMILESCS(=O)CCNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14BrNO2S/c1-19(18)7-6-16-14(17)12-3-2-11-9-13(15)5-4-10(11)8-12/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyHDUWCDFOANSNMP-UHFFFAOYSA-N
MW340.24 g/mol
LogP2.71
Rot. Bonds4

About 6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide

6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide (PubChem CID 113278435) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
PubChem CID113278435
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
SMILESCS(=O)CCNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H14BrNO2S/c1-19(18)7-6-16-14(17)12-3-2-11-9-13(15)5-4-10(11)8-12/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyHDUWCDFOANSNMP-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090
6-bromo-N-but-3-enylnaphthalene-2-carboxamide
CID 113465704
2-bromo-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 103752757
ethyl 3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 115283275
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115354259
3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide
CID 138025994
3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
CID 103826990
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide (CID 113278435) is 6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide is CS(=O)CCNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide?
The InChIKey is HDUWCDFOANSNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-19(18)7-6-16-14(17)12-3-2-11-9-13(15)5-4-10(11)8-12/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of 6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide?
6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 113278435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).