N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide

C21H21NO4S — CID 993464

IUPACN-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide
SMILESCOc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO4S/c1-15(2)21(23)22(18-9-11-19(26-3)12-10-18)27(24,25)20-13-8-16-6-4-5-7-17(16)14-20/h4-15H,1-3H3
InChIKeyIREBCVDZEQGLCK-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.23
Rot. Bonds5

About N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide

N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide (PubChem CID 993464) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide
PubChem CID993464
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide
SMILESCOc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO4S/c1-15(2)21(23)22(18-9-11-19(26-3)12-10-18)27(24,25)20-13-8-16-6-4-5-7-17(16)14-20/h4-15H,1-3H3
InChIKeyIREBCVDZEQGLCK-UHFFFAOYSA-N
XLogP4.23
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 1135733
N-(4-methoxyphenyl)-1-naphthalenesulfonamide
CID 962545
N-(4-{[4-(2-naphthyloxy)anilino]sulfonyl}phenyl)acetamide
CID 1217803
Acetic acid 4-[acetyl-(naphthalene-2-sulfonyl)-amino]-phenyl ester
CID 1098523
N-(4-methoxyphenyl)-3-methyl-N-[(4-methylphenyl)sulfonyl]benzamide
CID 1270942
[4-(N-(4-methylphenyl)sulfonylanilino)phenyl] acetate
CID 2302739
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 2434074
N-(4-methoxyphenyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}butanamide
CID 4639063
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 16829583
Naphthalene-2-sulfonic acid {3-[4-(4-methoxyphenyl)-piperazin-1-yl]-propyl}-amide
CID 42389293
N-(4-methoxyphenyl)-2-(4-methylphenoxy)-N-[(4-methylphenyl)sulfonyl]acetamide
CID 12005487
Ebna1-IN-SC7
CID 1014327

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide (CID 993464) is N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide is COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide?
The InChIKey is IREBCVDZEQGLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-15(2)21(23)22(18-9-11-19(26-3)12-10-18)27(24,25)20-13-8-16-6-4-5-7-17(16)14-20/h4-15H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide?
N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide has a molecular weight of 383.47 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-N-naphthalen-2-ylsulfonylpropanamide is sourced from PubChem (CID 993464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).