2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide

C22H23N3O3S — CID 43045988

IUPAC2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C(=O)CN1CCc2sccc2C1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C22H23N3O3S/c1-24(21(26)15-25-10-8-20-16(14-25)9-12-29-20)19-7-3-2-6-18(19)22(27)23-13-17-5-4-11-28-17/h2-7,9,11-12H,8,10,13-15H2,1H3,(H,23,27)
InChIKeyRRVZPCLEWASJTL-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.29
Rot. Bonds6

About 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide

2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 43045988) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID43045988
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C(=O)CN1CCc2sccc2C1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C22H23N3O3S/c1-24(21(26)15-25-10-8-20-16(14-25)9-12-29-20)19-7-3-2-6-18(19)22(27)23-13-17-5-4-11-28-17/h2-7,9,11-12H,8,10,13-15H2,1H3,(H,23,27)
InChIKeyRRVZPCLEWASJTL-UHFFFAOYSA-N
XLogP3.29
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 8913720
2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 8555309
2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 55410554
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate
CID 18154760
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 18166628
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 55403926
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-hydroxybenzoate
CID 55397483
N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
CID 78818353
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34090050
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 55399444
2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 55399156
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
CID 55402571

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide (CID 43045988) is 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide is CN(C(=O)CN1CCc2sccc2C1)c1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RRVZPCLEWASJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-24(21(26)15-25-10-8-20-16(14-25)9-12-29-20)19-7-3-2-6-18(19)22(27)23-13-17-5-4-11-28-17/h2-7,9,11-12H,8,10,13-15H2,1H3,(H,23,27).
What are the key properties of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 43045988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).