N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide

C20H21N5O4S — CID 43053716

IUPACN-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc2ccccc21
InChIInChI=1S/C20H21N5O4S/c1-2-25-17-9-4-3-8-16(17)22-20(25)23-19(27)14-6-5-7-15(12-14)30(28,29)24-11-10-21-18(26)13-24/h3-9,12H,2,10-11,13H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyGJLRWHHXQHAVOJ-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.43
Rot. Bonds5

About N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide

N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide (PubChem CID 43053716) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
PubChem CID43053716
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc2ccccc21
InChIInChI=1S/C20H21N5O4S/c1-2-25-17-9-4-3-8-16(17)22-20(25)23-19(27)14-6-5-7-15(12-14)30(28,29)24-11-10-21-18(26)13-24/h3-9,12H,2,10-11,13H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyGJLRWHHXQHAVOJ-UHFFFAOYSA-N
XLogP1.43
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-2-pyridinyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332424
N-[2-(dimethylsulfamoyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55985734
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 30855899
N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119630422
N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55559568
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55635743
N-[(2R)-2-(ethylamino)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 120653983
N-(2-chloro-4-fluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55559777
N-(5-chloro-2-methylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 46604362
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053642
3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068553

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide (CID 43053716) is N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide is CCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The InChIKey is GJLRWHHXQHAVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-2-25-17-9-4-3-8-16(17)22-20(25)23-19(27)14-6-5-7-15(12-14)30(28,29)24-11-10-21-18(26)13-24/h3-9,12H,2,10-11,13H2,1H3,(H,21,26)(H,22,23,27).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide has a molecular weight of 427.49 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 43053716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).