N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C17H19ClN2O4S2 — CID 53156302

IUPACN-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2C1
InChIInChI=1S/C17H19ClN2O4S2/c1-3-16(21)20-7-6-15-11(10-20)8-17(25-15)26(22,23)19-12-4-5-14(24-2)13(18)9-12/h4-5,8-9,19H,3,6-7,10H2,1-2H3
InChIKeyCHBSJWLSRSMVJD-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.51
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156302) has the molecular formula C17H19ClN2O4S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156302
Molecular FormulaC17H19ClN2O4S2
Molecular Weight414.94 g/mol
Exact Mass414.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2C1
InChIInChI=1S/C17H19ClN2O4S2/c1-3-16(21)20-7-6-15-11(10-20)8-17(25-15)26(22,23)19-12-4-5-14(24-2)13(18)9-12/h4-5,8-9,19H,3,6-7,10H2,1-2H3
InChIKeyCHBSJWLSRSMVJD-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156302) is N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2C1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is CHBSJWLSRSMVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S2/c1-3-16(21)20-7-6-15-11(10-20)8-17(25-15)26(22,23)19-12-4-5-14(24-2)13(18)9-12/h4-5,8-9,19H,3,6-7,10H2,1-2H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 414.94 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).