2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide

C18H22N2O2S2 — CID 58451849

IUPAC2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide
SMILESCSCCNC(=O)c1ccc2cc(C(=O)NCCSC)ccc2c1
InChIInChI=1S/C18H22N2O2S2/c1-23-9-7-19-17(21)15-5-3-14-12-16(6-4-13(14)11-15)18(22)20-8-10-24-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVMHLJHXCEVNYOT-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.03
Rot. Bonds8

About 2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide

2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide (PubChem CID 58451849) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide
PubChem CID58451849
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC Name2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide
SMILESCSCCNC(=O)c1ccc2cc(C(=O)NCCSC)ccc2c1
InChIInChI=1S/C18H22N2O2S2/c1-23-9-7-19-17(21)15-5-3-14-12-16(6-4-13(14)11-15)18(22)20-8-10-24-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVMHLJHXCEVNYOT-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 58451869
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
N-(2-methylsulfanylethyl)-3-phenylbenzamide
CID 67213717
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366
N-propylnaphthalene-2-carboxamide
CID 6624536
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
3-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylethyl)benzamide
CID 76996589
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
N-(2-methylsulfanylethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 138742180

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide (CID 58451849) is 2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide is CSCCNC(=O)c1ccc2cc(C(=O)NCCSC)ccc2c1.
What is the InChIKey of 2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide?
The InChIKey is VMHLJHXCEVNYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-23-9-7-19-17(21)15-5-3-14-12-16(6-4-13(14)11-15)18(22)20-8-10-24-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide?
2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide has a molecular weight of 362.52 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide is sourced from PubChem (CID 58451849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).