2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide

C23H29N3O4S — CID 2111262

IUPAC2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-18-5-10-21(31(28,29)26-11-3-2-4-12-26)17-22(18)23(27)24-19-6-8-20(9-7-19)25-13-15-30-16-14-25/h5-10,17H,2-4,11-16H2,1H3,(H,24,27)
InChIKeyOGNLSACGIFJOBY-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.26
Rot. Bonds5

About 2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 2111262) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID2111262
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-18-5-10-21(31(28,29)26-11-3-2-4-12-26)17-22(18)23(27)24-19-6-8-20(9-7-19)25-13-15-30-16-14-25/h5-10,17H,2-4,11-16H2,1H3,(H,24,27)
InChIKeyOGNLSACGIFJOBY-UHFFFAOYSA-N
XLogP3.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 28590362
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
N-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42369200
2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27838215
N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 2640923

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide (CID 2111262) is 2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OGNLSACGIFJOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-18-5-10-21(31(28,29)26-11-3-2-4-12-26)17-22(18)23(27)24-19-6-8-20(9-7-19)25-13-15-30-16-14-25/h5-10,17H,2-4,11-16H2,1H3,(H,24,27).
What are the key properties of 2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 443.57 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2111262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).