N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C25H33N3O5S — CID 30860403

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C25H33N3O5S/c1-17-10-12-28(13-11-17)34(31,32)23-15-20(14-18(2)19(23)3)25(30)26-21-6-8-22(9-7-21)33-16-24(29)27(4)5/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,26,30)
InChIKeyGKWZJPLRAMIXMW-UHFFFAOYSA-N
MW487.62 g/mol
LogP3.44
Rot. Bonds7

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 30860403) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID30860403
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C
InChIInChI=1S/C25H33N3O5S/c1-17-10-12-28(13-11-17)34(31,32)23-15-20(14-18(2)19(23)3)25(30)26-21-6-8-22(9-7-21)33-16-24(29)27(4)5/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,26,30)
InChIKeyGKWZJPLRAMIXMW-UHFFFAOYSA-N
XLogP3.44
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 43061200
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 27700270
N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 51218909
N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851
N-(2-hydroxyethyl)-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 78816617
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26454802
N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1333013
N-butan-2-yl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46521885
3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119433268
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 28538953
(2-amino-2-oxoethyl) 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 27577234
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 30860403) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc(S(=O)(=O)N2CCC(C)CC2)c1C.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is GKWZJPLRAMIXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-17-10-12-28(13-11-17)34(31,32)23-15-20(14-18(2)19(23)3)25(30)26-21-6-8-22(9-7-21)33-16-24(29)27(4)5/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,26,30).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 487.62 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 30860403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).