N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide

C15H17ClN4O3S2 — CID 121030444

IUPACN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)S(C)(=O)=O
InChIInChI=1S/C15H17ClN4O3S2/c1-19(25(2,22)23)7-14(21)17-15-12-8-24-9-13(12)18-20(15)11-5-3-10(16)4-6-11/h3-6H,7-9H2,1-2H3,(H,17,21)
InChIKeyBPRIJRFGQYZPEB-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.10
Rot. Bonds5

About N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 121030444) has the molecular formula C15H17ClN4O3S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID121030444
Molecular FormulaC15H17ClN4O3S2
Molecular Weight400.91 g/mol
Exact Mass400.04
IUPAC NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)S(C)(=O)=O
InChIInChI=1S/C15H17ClN4O3S2/c1-19(25(2,22)23)7-14(21)17-15-12-8-24-9-13(12)18-20(15)11-5-3-10(16)4-6-11/h3-6H,7-9H2,1-2H3,(H,17,21)
InChIKeyBPRIJRFGQYZPEB-UHFFFAOYSA-N
XLogP2.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 121030444) is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is BPRIJRFGQYZPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S2/c1-19(25(2,22)23)7-14(21)17-15-12-8-24-9-13(12)18-20(15)11-5-3-10(16)4-6-11/h3-6H,7-9H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 400.91 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 121030444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).