1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide

C14H17N3O2S2 — CID 81337357

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CC1Cc2ccccc2S1
InChIInChI=1S/C14H17N3O2S2/c1-2-13-16-14(21(15,18)19)9-17(13)8-11-7-10-5-3-4-6-12(10)20-11/h3-6,9,11H,2,7-8H2,1H3,(H2,15,18,19)
InChIKeyFINHCYLWJDHRQA-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.81
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide (PubChem CID 81337357) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide
PubChem CID81337357
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CC1Cc2ccccc2S1
InChIInChI=1S/C14H17N3O2S2/c1-2-13-16-14(21(15,18)19)9-17(13)8-11-7-10-5-3-4-6-12(10)20-11/h3-6,9,11H,2,7-8H2,1H3,(H2,15,18,19)
InChIKeyFINHCYLWJDHRQA-UHFFFAOYSA-N
XLogP1.81
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylimidazole-4-sulfonamide
CID 81342287
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylimidazole-4-sulfonyl chloride
CID 79228734
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 81340368
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one
CID 80582050
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-5-ethylpyrimidine-2,4-dione
CID 79224100
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-5-ethyltriazol-4-amine
CID 79542830
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethyl-1,2,4-triazole
CID 79349818
4-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfonyl)butan-2-amine
CID 81195844
1-[(3,4-difluorophenyl)methyl]-2-ethylimidazole-4-sulfonamide
CID 82935239
1-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79228447
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-6-methylindole
CID 116546719

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide (CID 81337357) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide is CCc1nc(S(N)(=O)=O)cn1CC1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide?
The InChIKey is FINHCYLWJDHRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-2-13-16-14(21(15,18)19)9-17(13)8-11-7-10-5-3-4-6-12(10)20-11/h3-6,9,11H,2,7-8H2,1H3,(H2,15,18,19).
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide has a molecular weight of 323.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 81337357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).