3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide

C21H26N4O4S2 — CID 43008074

IUPAC3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCn1c(CCC(=O)NCCc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C21H26N4O4S2/c1-24-19-5-4-17(31(27,28)25-10-12-29-13-11-25)15-18(19)23-20(24)6-7-21(26)22-9-8-16-3-2-14-30-16/h2-5,14-15H,6-13H2,1H3,(H,22,26)
InChIKeyRLUSTDPUPHWNTD-UHFFFAOYSA-N
MW462.60 g/mol
LogP1.95
Rot. Bonds8

About 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide

3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 43008074) has the molecular formula C21H26N4O4S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID43008074
Molecular FormulaC21H26N4O4S2
Molecular Weight462.60 g/mol
Exact Mass462.14
IUPAC Name3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESCn1c(CCC(=O)NCCc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C21H26N4O4S2/c1-24-19-5-4-17(31(27,28)25-10-12-29-13-11-25)15-18(19)23-20(24)6-7-21(26)22-9-8-16-3-2-14-30-16/h2-5,14-15H,6-13H2,1H3,(H,22,26)
InChIKeyRLUSTDPUPHWNTD-UHFFFAOYSA-N
XLogP1.95
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
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N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
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N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
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N-(3-hydroxypropyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 70708631
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N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
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N-[3-(dimethylsulfamoyl)phenyl]-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24980417
N-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 43008074) is 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide is Cn1c(CCC(=O)NCCc2cccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is RLUSTDPUPHWNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S2/c1-24-19-5-4-17(31(27,28)25-10-12-29-13-11-25)15-18(19)23-20(24)6-7-21(26)22-9-8-16-3-2-14-30-16/h2-5,14-15H,6-13H2,1H3,(H,22,26).
What are the key properties of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide?
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 462.60 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 43008074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).