2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide

C20H21N3O3S — CID 46435313

IUPAC2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C20H21N3O3S/c1-15(18-11-5-8-16-7-3-4-10-19(16)18)22-20(24)14-23(2)27(25,26)17-9-6-12-21-13-17/h3-13,15H,14H2,1-2H3,(H,22,24)
InChIKeyZWLBAIJFUNFCIF-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.73
Rot. Bonds6

About 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide

2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 46435313) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
PubChem CID46435313
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C20H21N3O3S/c1-15(18-11-5-8-16-7-3-4-10-19(16)18)22-20(24)14-23(2)27(25,26)17-9-6-12-21-13-17/h3-13,15H,14H2,1-2H3,(H,22,24)
InChIKeyZWLBAIJFUNFCIF-UHFFFAOYSA-N
XLogP2.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46404019
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668800
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668921
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43891548
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
CID 120830025
N-[furan-2-yl(phenyl)methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668935
2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55670864
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 55663160
2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 166187935
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide (CID 46435313) is 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide is CC(NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1cccc2ccccc12.
What is the InChIKey of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The InChIKey is ZWLBAIJFUNFCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15(18-11-5-8-16-7-3-4-10-19(16)18)22-20(24)14-23(2)27(25,26)17-9-6-12-21-13-17/h3-13,15H,14H2,1-2H3,(H,22,24).
What are the key properties of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide?
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 46435313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).