N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide

C20H23N3OS2 — CID 126850924

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NCC(c1ccsc1)n1nc(C)cc1C
InChIInChI=1S/C20H23N3OS2/c1-4-26-19-8-6-5-7-17(19)20(24)21-12-18(16-9-10-25-13-16)23-15(3)11-14(2)22-23/h5-11,13,18H,4,12H2,1-3H3,(H,21,24)
InChIKeyNHAADGLGHDHYDH-UHFFFAOYSA-N
MW385.56 g/mol
LogP4.69
Rot. Bonds7

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide (PubChem CID 126850924) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide
PubChem CID126850924
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)NCC(c1ccsc1)n1nc(C)cc1C
InChIInChI=1S/C20H23N3OS2/c1-4-26-19-8-6-5-7-17(19)20(24)21-12-18(16-9-10-25-13-16)23-15(3)11-14(2)22-23/h5-11,13,18H,4,12H2,1-3H3,(H,21,24)
InChIKeyNHAADGLGHDHYDH-UHFFFAOYSA-N
XLogP4.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-oxochromene-3-carboxamide
CID 122161369
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-1,3-benzothiazole-6-carboxamide
CID 122161364
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 122161397
2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 122264689
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 122161413
3,5-dimethyl-1-(2-nitro-1-thiophen-3-ylethyl)pyrazole
CID 154581442
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-ethoxybenzamide
CID 122265531
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931649
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide
CID 30856572
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 122161392

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide (CID 126850924) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)NCC(c1ccsc1)n1nc(C)cc1C.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide?
The InChIKey is NHAADGLGHDHYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS2/c1-4-26-19-8-6-5-7-17(19)20(24)21-12-18(16-9-10-25-13-16)23-15(3)11-14(2)22-23/h5-11,13,18H,4,12H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide has a molecular weight of 385.56 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-3-ylethyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 126850924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).