N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide

C20H30N4O3S2 — CID 112805599

IUPACN,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCC1c2ccsc2CCN1C(=O)Cn1nc(C)c(S(=O)(=O)N(CC)CC)c1C
InChIInChI=1S/C20H30N4O3S2/c1-6-17-16-10-12-28-18(16)9-11-23(17)19(25)13-24-15(5)20(14(4)21-24)29(26,27)22(7-2)8-3/h10,12,17H,6-9,11,13H2,1-5H3
InChIKeyLRNOIFCYNARFNM-UHFFFAOYSA-N
MW438.62 g/mol
LogP3.13
Rot. Bonds7

About N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide

N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 112805599) has the molecular formula C20H30N4O3S2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID112805599
Molecular FormulaC20H30N4O3S2
Molecular Weight438.62 g/mol
Exact Mass438.18
IUPAC NameN,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCC1c2ccsc2CCN1C(=O)Cn1nc(C)c(S(=O)(=O)N(CC)CC)c1C
InChIInChI=1S/C20H30N4O3S2/c1-6-17-16-10-12-28-18(16)9-11-23(17)19(25)13-24-15(5)20(14(4)21-24)29(26,27)22(7-2)8-3/h10,12,17H,6-9,11,13H2,1-5H3
InChIKeyLRNOIFCYNARFNM-UHFFFAOYSA-N
XLogP3.13
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide with MolForge

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Related Compounds

2-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 126766696
1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile
CID 86794613
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 99844073
3-[4-[3-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]-3,5-dimethylpyrazol-1-yl]propanenitrile
CID 94110109
3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-8-methylquinazolin-4-one
CID 51270851
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 71871751
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethane-1,2-dione
CID 134041486
2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 78827910
(2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119914171

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide (CID 112805599) is N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide is CCC1c2ccsc2CCN1C(=O)Cn1nc(C)c(S(=O)(=O)N(CC)CC)c1C.
What is the InChIKey of N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is LRNOIFCYNARFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S2/c1-6-17-16-10-12-28-18(16)9-11-23(17)19(25)13-24-15(5)20(14(4)21-24)29(26,27)22(7-2)8-3/h10,12,17H,6-9,11,13H2,1-5H3.
What are the key properties of N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide?
N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 438.62 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 112805599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).