4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide

C17H25N3O4S — CID 91842161

IUPAC4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N(C)CCN2CCCCC2=O)cc1
InChIInChI=1S/C17H25N3O4S/c1-3-25(23,24)18-15-9-7-14(8-10-15)17(22)19(2)12-13-20-11-5-4-6-16(20)21/h7-10,18H,3-6,11-13H2,1-2H3
InChIKeyIHPGCRITZJIXAV-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.53
Rot. Bonds7

About 4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide

4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide (PubChem CID 91842161) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
PubChem CID91842161
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N(C)CCN2CCCCC2=O)cc1
InChIInChI=1S/C17H25N3O4S/c1-3-25(23,24)18-15-9-7-14(8-10-15)17(22)19(2)12-13-20-11-5-4-6-16(20)21/h7-10,18H,3-6,11-13H2,1-2H3
InChIKeyIHPGCRITZJIXAV-UHFFFAOYSA-N
XLogP1.53
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-phenylpyrimidine-4-carboxamide
CID 166259536
2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 153346628
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
3-(4-fluoro-3-methoxyphenyl)-1-methyl-1-[2-(2-oxopiperidin-1-yl)ethyl]urea
CID 72899838
1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
CID 75475746
N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
CID 92679282
4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
CID 100785367
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 91767042
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123201796

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide (CID 91842161) is 4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide is CCS(=O)(=O)Nc1ccc(C(=O)N(C)CCN2CCCCC2=O)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide?
The InChIKey is IHPGCRITZJIXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-3-25(23,24)18-15-9-7-14(8-10-15)17(22)19(2)12-13-20-11-5-4-6-16(20)21/h7-10,18H,3-6,11-13H2,1-2H3.
What are the key properties of 4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide?
4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 91842161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).