N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C20H22N2O4S2 — CID 18116994

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1ccc2cc(CN(C)C(=O)CN(C)S(=O)(=O)c3cccs3)ccc2c1
InChIInChI=1S/C20H22N2O4S2/c1-21(19(23)14-22(2)28(24,25)20-5-4-10-27-20)13-15-6-7-17-12-18(26-3)9-8-16(17)11-15/h4-12H,13-14H2,1-3H3
InChIKeyMKQUENLKWVIQGN-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.19
Rot. Bonds7

About N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 18116994) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID18116994
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1ccc2cc(CN(C)C(=O)CN(C)S(=O)(=O)c3cccs3)ccc2c1
InChIInChI=1S/C20H22N2O4S2/c1-21(19(23)14-22(2)28(24,25)20-5-4-10-27-20)13-15-6-7-17-12-18(26-3)9-8-16(17)11-15/h4-12H,13-14H2,1-3H3
InChIKeyMKQUENLKWVIQGN-UHFFFAOYSA-N
XLogP3.19
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide
CID 18117309
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 24682495
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-thiophen-2-ylsulfanylacetamide
CID 30898336
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 63939841
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8844967
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8845610
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 31798887
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
N,N-bis(2-methoxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55327809
4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoic acid
CID 60750528

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 18116994) is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is COc1ccc2cc(CN(C)C(=O)CN(C)S(=O)(=O)c3cccs3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is MKQUENLKWVIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c1-21(19(23)14-22(2)28(24,25)20-5-4-10-27-20)13-15-6-7-17-12-18(26-3)9-8-16(17)11-15/h4-12H,13-14H2,1-3H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 418.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 18116994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).