3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide

C22H22N2O4S — CID 94042950

IUPAC3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
SMILESO=C(NCc1ccc2ccccc2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H22N2O4S/c25-22(23-16-17-8-9-18-4-1-2-5-19(18)14-17)20-6-3-7-21(15-20)29(26,27)24-10-12-28-13-11-24/h1-9,14-15H,10-13,16H2,(H,23,25)
InChIKeyVDOUOQGDAAKYOT-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.79
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide

3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide (PubChem CID 94042950) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
PubChem CID94042950
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
SMILESO=C(NCc1ccc2ccccc2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H22N2O4S/c25-22(23-16-17-8-9-18-4-1-2-5-19(18)14-17)20-6-3-7-21(15-20)29(26,27)24-10-12-28-13-11-24/h1-9,14-15H,10-13,16H2,(H,23,25)
InChIKeyVDOUOQGDAAKYOT-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620
3-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 99258291
N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 50946109
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 50946670
1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 27656690
N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 52713270
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 32775606
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 2671800

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide (CID 94042950) is 3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide is O=C(NCc1ccc2ccccc2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide?
The InChIKey is VDOUOQGDAAKYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c25-22(23-16-17-8-9-18-4-1-2-5-19(18)14-17)20-6-3-7-21(15-20)29(26,27)24-10-12-28-13-11-24/h1-9,14-15H,10-13,16H2,(H,23,25).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide?
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide has a molecular weight of 410.50 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide is sourced from PubChem (CID 94042950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).