3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C19H22N2O4S — CID 1164273

IUPAC3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C19H22N2O4S/c1-14-3-4-16(13-15(14)2)19(22)20-17-5-7-18(8-6-17)26(23,24)21-9-11-25-12-10-21/h3-8,13H,9-12H2,1-2H3,(H,20,22)
InChIKeyKXUMMMIRFQDRJX-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.58
Rot. Bonds4

About 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 1164273) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID1164273
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C19H22N2O4S/c1-14-3-4-16(13-15(14)2)19(22)20-17-5-7-18(8-6-17)26(23,24)21-9-11-25-12-10-21/h3-8,13H,9-12H2,1-2H3,(H,20,22)
InChIKeyKXUMMMIRFQDRJX-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6619553
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 1164273) is 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is KXUMMMIRFQDRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-3-4-16(13-15(14)2)19(22)20-17-5-7-18(8-6-17)26(23,24)21-9-11-25-12-10-21/h3-8,13H,9-12H2,1-2H3,(H,20,22).
What are the key properties of 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1164273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).