3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

C21H25N5O3S — CID 60582181

IUPAC3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)CCn3cnc4ccccc43)c2)CC1
InChIInChI=1S/C21H25N5O3S/c1-24-11-13-26(14-12-24)30(28,29)18-6-4-5-17(15-18)23-21(27)9-10-25-16-22-19-7-2-3-8-20(19)25/h2-8,15-16H,9-14H2,1H3,(H,23,27)
InChIKeyAXHNICRYCLPMSA-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.00
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide

3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (PubChem CID 60582181) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
PubChem CID60582181
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)CCn3cnc4ccccc43)c2)CC1
InChIInChI=1S/C21H25N5O3S/c1-24-11-13-26(14-12-24)30(28,29)18-6-4-5-17(15-18)23-21(27)9-10-25-16-22-19-7-2-3-8-20(19)25/h2-8,15-16H,9-14H2,1H3,(H,23,27)
InChIKeyAXHNICRYCLPMSA-UHFFFAOYSA-N
XLogP2.00
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17480456
N-(3-fluorophenyl)-3-(5-piperidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064265
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247
3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 53064004
ethyl 3-[3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanoylamino]benzoate
CID 53064019
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
N-(2,3-dimethylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064017
3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46328435
N-(1,3-benzodioxol-5-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064059
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide (CID 60582181) is 3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is CN1CCN(S(=O)(=O)c2cccc(NC(=O)CCn3cnc4ccccc43)c2)CC1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is AXHNICRYCLPMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-24-11-13-26(14-12-24)30(28,29)18-6-4-5-17(15-18)23-21(27)9-10-25-16-22-19-7-2-3-8-20(19)25/h2-8,15-16H,9-14H2,1H3,(H,23,27).
What are the key properties of 3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide?
3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 427.53 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 60582181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).