N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide

C16H13NO2S2 — CID 20963407

IUPACN-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(s1)-c1ccsc1CC2
InChIInChI=1S/C16H13NO2S2/c18-16(17-9-11-2-1-6-19-11)14-8-10-3-4-13-12(5-7-20-13)15(10)21-14/h1-2,5-8H,3-4,9H2,(H,17,18)
InChIKeyWWFSCUXGBIPLHV-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.10
Rot. Bonds3

About N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide

N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide (PubChem CID 20963407) has the molecular formula C16H13NO2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
PubChem CID20963407
Molecular FormulaC16H13NO2S2
Molecular Weight315.42 g/mol
Exact Mass315.04
IUPAC NameN-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(s1)-c1ccsc1CC2
InChIInChI=1S/C16H13NO2S2/c18-16(17-9-11-2-1-6-19-11)14-8-10-3-4-13-12(5-7-20-13)15(10)21-14/h1-2,5-8H,3-4,9H2,(H,17,18)
InChIKeyWWFSCUXGBIPLHV-UHFFFAOYSA-N
XLogP4.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
CID 20963432
(5S)-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9034359
N-(furan-2-ylmethyl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171039
N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide
CID 20963426
[2-(furan-2-ylmethylamino)-2-oxoethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 7683720
(5R)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9080270
N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 9467826
N-[2-(furan-2-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 24542540
4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide
CID 2826309
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253197

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide (CID 20963407) is N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide is O=C(NCc1ccco1)c1cc2c(s1)-c1ccsc1CC2.
What is the InChIKey of N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide?
The InChIKey is WWFSCUXGBIPLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S2/c18-16(17-9-11-2-1-6-19-11)14-8-10-3-4-13-12(5-7-20-13)15(10)21-14/h1-2,5-8H,3-4,9H2,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide?
N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4,5-dihydrothieno[2,3-e][1]benzothiole-2-carboxamide is sourced from PubChem (CID 20963407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).