N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C22H27N3O5S — CID 56513978

IUPACN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1OC
InChIInChI=1S/C22H27N3O5S/c1-3-31(28,29)24-18-13-12-17(15-19(18)30-2)23-22(27)21(16-9-5-4-6-10-16)25-14-8-7-11-20(25)26/h4-6,9-10,12-13,15,21,24H,3,7-8,11,14H2,1-2H3,(H,23,27)
InChIKeyHMOLJWHKRMHZSK-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.15
Rot. Bonds8

About N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56513978) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56513978
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1OC
InChIInChI=1S/C22H27N3O5S/c1-3-31(28,29)24-18-13-12-17(15-19(18)30-2)23-22(27)21(16-9-5-4-6-10-16)25-14-8-7-11-20(25)26/h4-6,9-10,12-13,15,21,24H,3,7-8,11,14H2,1-2H3,(H,23,27)
InChIKeyHMOLJWHKRMHZSK-UHFFFAOYSA-N
XLogP3.15
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,2-diphenylacetamide
CID 60552778
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515457
2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate
CID 56577209
3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516265
N-(3-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515228
N-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514636
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516841
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513321
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56513978) is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CCS(=O)(=O)Nc1ccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1OC.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is HMOLJWHKRMHZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-3-31(28,29)24-18-13-12-17(15-19(18)30-2)23-22(27)21(16-9-5-4-6-10-16)25-14-8-7-11-20(25)26/h4-6,9-10,12-13,15,21,24H,3,7-8,11,14H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 445.54 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56513978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).