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

C18H22N2O4S2 — CID 53156283

IUPACN-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCCC(=O)N1CCc2sc(S(=O)(=O)NCc3ccc(OC)cc3)cc2C1
InChIInChI=1S/C18H22N2O4S2/c1-3-17(21)20-9-8-16-14(12-20)10-18(25-16)26(22,23)19-11-13-4-6-15(24-2)7-5-13/h4-7,10,19H,3,8-9,11-12H2,1-2H3
InChIKeyFOCCIDDVBZUZDP-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.53
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156283) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156283
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCCC(=O)N1CCc2sc(S(=O)(=O)NCc3ccc(OC)cc3)cc2C1
InChIInChI=1S/C18H22N2O4S2/c1-3-17(21)20-9-8-16-14(12-20)10-18(25-16)26(22,23)19-11-13-4-6-15(24-2)7-5-13/h4-7,10,19H,3,8-9,11-12H2,1-2H3
InChIKeyFOCCIDDVBZUZDP-UHFFFAOYSA-N
XLogP2.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

AL5927
CID 4316
2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 26
CID 19434023
1-[4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl]ethan-1-one
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N-(3-methoxybenzyl)-4-[(thien-2-ylsulfonyl)amino]butanamide
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1-[(5-Bromothiophen-2-YL)sulfonyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 22430615
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one
CID 2739546
N-(2-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 18104644
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
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(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 2552495
3-(4-Methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2713016
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2999542

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156283) is N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is CCC(=O)N1CCc2sc(S(=O)(=O)NCc3ccc(OC)cc3)cc2C1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is FOCCIDDVBZUZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-3-17(21)20-9-8-16-14(12-20)10-18(25-16)26(22,23)19-11-13-4-6-15(24-2)7-5-13/h4-7,10,19H,3,8-9,11-12H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).