N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide

C19H26N2O3S2 — CID 112823170

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCC(C)N2CCc3sccc3C2)cc1C
InChIInChI=1S/C19H26N2O3S2/c1-13-9-17(10-14(2)19(13)24-4)26(22,23)20-11-15(3)21-7-5-18-16(12-21)6-8-25-18/h6,8-10,15,20H,5,7,11-12H2,1-4H3
InChIKeyZNVKPXLNIOZRIW-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.10
Rot. Bonds6

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide (PubChem CID 112823170) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
PubChem CID112823170
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCC(C)N2CCc3sccc3C2)cc1C
InChIInChI=1S/C19H26N2O3S2/c1-13-9-17(10-14(2)19(13)24-4)26(22,23)20-11-15(3)21-7-5-18-16(12-21)6-8-25-18/h6,8-10,15,20H,5,7,11-12H2,1-4H3
InChIKeyZNVKPXLNIOZRIW-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide (CID 112823170) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCC(C)N2CCc3sccc3C2)cc1C.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The InChIKey is ZNVKPXLNIOZRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-13-9-17(10-14(2)19(13)24-4)26(22,23)20-11-15(3)21-7-5-18-16(12-21)6-8-25-18/h6,8-10,15,20H,5,7,11-12H2,1-4H3.
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide has a molecular weight of 394.56 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 112823170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).