4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide

C22H26N4O4S — CID 55725981

IUPAC4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCNC3=O)c2)cc1
InChIInChI=1S/C22H26N4O4S/c1-16-5-2-3-13-26(16)31(29,30)20-10-8-17(9-11-20)21(27)24-18-6-4-7-19(15-18)25-14-12-23-22(25)28/h4,6-11,15-16H,2-3,5,12-14H2,1H3,(H,23,28)(H,24,27)
InChIKeyBHSKXDUOOUVXTN-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.03
Rot. Bonds5

About 4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide

4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide (PubChem CID 55725981) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
PubChem CID55725981
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCNC3=O)c2)cc1
InChIInChI=1S/C22H26N4O4S/c1-16-5-2-3-13-26(16)31(29,30)20-10-8-17(9-11-20)21(27)24-18-6-4-7-19(15-18)25-14-12-23-22(25)28/h4,6-11,15-16H,2-3,5,12-14H2,1H3,(H,23,28)(H,24,27)
InChIKeyBHSKXDUOOUVXTN-UHFFFAOYSA-N
XLogP3.03
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9095769
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9096526
N-(1,3-benzodioxol-5-yl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8701103
N-imidazo[1,2-a]pyridin-5-yl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 97216703
3,4-difluoro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 110874016
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8780251
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
CID 112789629

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide (CID 55725981) is 4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCNC3=O)c2)cc1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
The InChIKey is BHSKXDUOOUVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-16-5-2-3-13-26(16)31(29,30)20-10-8-17(9-11-20)21(27)24-18-6-4-7-19(15-18)25-14-12-23-22(25)28/h4,6-11,15-16H,2-3,5,12-14H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide?
4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide has a molecular weight of 442.54 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 55725981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).