N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide

C22H22N2O4S — CID 7929134

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H22N2O4S/c1-16-6-9-20(15-21(16)29(26,27)24-10-12-28-13-11-24)23-22(25)19-8-7-17-4-2-3-5-18(17)14-19/h2-9,14-15H,10-13H2,1H3,(H,23,25)
InChIKeyNOQLTQNPPDSDKY-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.42
Rot. Bonds4

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide (PubChem CID 7929134) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
PubChem CID7929134
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H22N2O4S/c1-16-6-9-20(15-21(16)29(26,27)24-10-12-28-13-11-24)23-22(25)19-8-7-17-4-2-3-5-18(17)14-19/h2-9,14-15H,10-13H2,1H3,(H,23,25)
InChIKeyNOQLTQNPPDSDKY-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 16515870
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 24687007
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5084540
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide
CID 9183599
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
naphthalen-2-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 2677401
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
4-(3,6-dioxodiazinan-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 47074202

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide (CID 7929134) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide is Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide?
The InChIKey is NOQLTQNPPDSDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16-6-9-20(15-21(16)29(26,27)24-10-12-28-13-11-24)23-22(25)19-8-7-17-4-2-3-5-18(17)14-19/h2-9,14-15H,10-13H2,1H3,(H,23,25).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 7929134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).