2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide

C22H27N3O5S — CID 43005431

IUPAC2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C22H27N3O5S/c1-16-10-11-17(31(28,29)25-12-6-3-7-13-25)14-19(16)24-21(26)15-23-22(27)18-8-4-5-9-20(18)30-2/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLDUGJHCATSPREG-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.55
Rot. Bonds7

About 2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide

2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide (PubChem CID 43005431) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
PubChem CID43005431
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C22H27N3O5S/c1-16-10-11-17(31(28,29)25-12-6-3-7-13-25)14-19(16)24-21(26)15-23-22(27)18-8-4-5-9-20(18)30-2/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLDUGJHCATSPREG-UHFFFAOYSA-N
XLogP2.55
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methoxybenzamide
CID 2688194
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide
CID 100768401
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835
2-(cyclopentylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4135329
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842
2-methoxy-N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590884
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546036

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide (CID 43005431) is 2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide is COc1ccccc1C(=O)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of 2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide?
The InChIKey is LDUGJHCATSPREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-16-10-11-17(31(28,29)25-12-6-3-7-13-25)14-19(16)24-21(26)15-23-22(27)18-8-4-5-9-20(18)30-2/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide?
2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 43005431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).