2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide

C19H24N4O2S2 — CID 30862189

IUPAC2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2c(c1NC(=O)CSCc1ccccc1)CSC2
InChIInChI=1S/C19H24N4O2S2/c1-2-8-20-17(24)9-23-19(15-11-27-12-16(15)22-23)21-18(25)13-26-10-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyQVAHSPJJXHFHRU-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.03
Rot. Bonds9

About 2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide

2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide (PubChem CID 30862189) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide
PubChem CID30862189
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC Name2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc2c(c1NC(=O)CSCc1ccccc1)CSC2
InChIInChI=1S/C19H24N4O2S2/c1-2-8-20-17(24)9-23-19(15-11-27-12-16(15)22-23)21-18(25)13-26-10-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyQVAHSPJJXHFHRU-UHFFFAOYSA-N
XLogP3.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide?
The IUPAC name of 2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide (CID 30862189) is 2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide is CCCNC(=O)Cn1nc2c(c1NC(=O)CSCc1ccccc1)CSC2.
What is the InChIKey of 2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide?
The InChIKey is QVAHSPJJXHFHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c1-2-8-20-17(24)9-23-19(15-11-27-12-16(15)22-23)21-18(25)13-26-10-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide?
2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide has a molecular weight of 404.56 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-benzylsulfanylacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]-N-propylacetamide is sourced from PubChem (CID 30862189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).