N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide

C22H24N2O3S2 — CID 134028890

IUPACN-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-23(15-17-8-11-20(28-3)12-9-17)22(25)16-24(2)29(26,27)21-13-10-18-6-4-5-7-19(18)14-21/h4-14H,15-16H2,1-3H3
InChIKeyNDHGJSODMOIZLZ-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.84
Rot. Bonds7

About N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide

N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 134028890) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID134028890
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC NameN-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-23(15-17-8-11-20(28-3)12-9-17)22(25)16-24(2)29(26,27)21-13-10-18-6-4-5-7-19(18)14-21/h4-14H,15-16H2,1-3H3
InChIKeyNDHGJSODMOIZLZ-UHFFFAOYSA-N
XLogP3.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 134028890) is N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide is CSc1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is NDHGJSODMOIZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-23(15-17-8-11-20(28-3)12-9-17)22(25)16-24(2)29(26,27)21-13-10-18-6-4-5-7-19(18)14-21/h4-14H,15-16H2,1-3H3.
What are the key properties of N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 428.58 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 134028890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).