3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide

C19H13ClFNO2S2 — CID 18290250

IUPAC3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1sc2cc(F)ccc2c1Cl)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H13ClFNO2S2/c20-17-15-6-5-12(21)9-16(15)26-18(17)19(23)22(10-13-3-1-7-24-13)11-14-4-2-8-25-14/h1-9H,10-11H2
InChIKeyITGHFGAHXRZYHW-UHFFFAOYSA-N
MW405.90 g/mol
LogP6.19
Rot. Bonds5

About 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide

3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 18290250) has the molecular formula C19H13ClFNO2S2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID18290250
Molecular FormulaC19H13ClFNO2S2
Molecular Weight405.90 g/mol
Exact Mass405.01
IUPAC Name3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1sc2cc(F)ccc2c1Cl)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H13ClFNO2S2/c20-17-15-6-5-12(21)9-16(15)26-18(17)19(23)22(10-13-3-1-7-24-13)11-14-4-2-8-25-14/h1-9H,10-11H2
InChIKeyITGHFGAHXRZYHW-UHFFFAOYSA-N
XLogP6.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.90
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 27718176
3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 27718181
5-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 31834551
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 18121711
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 2566916
3,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 19120207

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide (CID 18290250) is 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide is O=C(c1sc2cc(F)ccc2c1Cl)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is ITGHFGAHXRZYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO2S2/c20-17-15-6-5-12(21)9-16(15)26-18(17)19(23)22(10-13-3-1-7-24-13)11-14-4-2-8-25-14/h1-9H,10-11H2.
What are the key properties of 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 405.90 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18290250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).