3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

C19H22N2O4S — CID 4799420

IUPAC3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-10-15(2)12-16(11-14)19(22)20-17-4-3-5-18(13-17)26(23,24)21-6-8-25-9-7-21/h3-5,10-13H,6-9H2,1-2H3,(H,20,22)
InChIKeyLPEWGVQKYQODSP-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.58
Rot. Bonds4

About 3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide

3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4799420) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4799420
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-10-15(2)12-16(11-14)19(22)20-17-4-3-5-18(13-17)26(23,24)21-6-8-25-9-7-21/h3-5,10-13H,6-9H2,1-2H3,(H,20,22)
InChIKeyLPEWGVQKYQODSP-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

3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide
CID 7759035
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853467
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide (CID 4799420) is 3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is Cc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is LPEWGVQKYQODSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-10-15(2)12-16(11-14)19(22)20-17-4-3-5-18(13-17)26(23,24)21-6-8-25-9-7-21/h3-5,10-13H,6-9H2,1-2H3,(H,20,22).
What are the key properties of 3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide?
3,5-dimethyl-N-(3-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 3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4799420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).