N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide

C20H27N3O3S2 — CID 19093987

IUPACN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)NCCN2C(C)Cc3ccsc3C2C)cc1
InChIInChI=1S/C20H27N3O3S2/c1-4-28(25,26)22-18-7-5-16(6-8-18)20(24)21-10-11-23-14(2)13-17-9-12-27-19(17)15(23)3/h5-9,12,14-15,22H,4,10-11,13H2,1-3H3,(H,21,24)
InChIKeyZDPSJFPVCAINJY-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.25
Rot. Bonds7

About N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide

N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide (PubChem CID 19093987) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide
PubChem CID19093987
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC NameN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)NCCN2C(C)Cc3ccsc3C2C)cc1
InChIInChI=1S/C20H27N3O3S2/c1-4-28(25,26)22-18-7-5-16(6-8-18)20(24)21-10-11-23-14(2)13-17-9-12-27-19(17)15(23)3/h5-9,12,14-15,22H,4,10-11,13H2,1-3H3,(H,21,24)
InChIKeyZDPSJFPVCAINJY-UHFFFAOYSA-N
XLogP3.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide?
The IUPAC name of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide (CID 19093987) is N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide is CCS(=O)(=O)Nc1ccc(C(=O)NCCN2C(C)Cc3ccsc3C2C)cc1.
What is the InChIKey of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide?
The InChIKey is ZDPSJFPVCAINJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-4-28(25,26)22-18-7-5-16(6-8-18)20(24)21-10-11-23-14(2)13-17-9-12-27-19(17)15(23)3/h5-9,12,14-15,22H,4,10-11,13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide?
N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide has a molecular weight of 421.59 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(ethylsulfonylamino)benzamide is sourced from PubChem (CID 19093987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).