N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide

C20H23N3O4S2 — CID 70933501

IUPACN-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(-c2ccc(S(=O)(=O)Nc3ccsc3C(=O)COC(C)(C)C)cc2)cn1
InChIInChI=1S/C20H23N3O4S2/c1-20(2,3)27-13-18(24)19-17(9-10-28-19)22-29(25,26)16-7-5-14(6-8-16)15-11-21-23(4)12-15/h5-12,22H,13H2,1-4H3
InChIKeyLENATURRVJQMBI-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.95
Rot. Bonds7

About N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide

N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 70933501) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID70933501
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC NameN-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(-c2ccc(S(=O)(=O)Nc3ccsc3C(=O)COC(C)(C)C)cc2)cn1
InChIInChI=1S/C20H23N3O4S2/c1-20(2,3)27-13-18(24)19-17(9-10-28-19)22-29(25,26)16-7-5-14(6-8-16)15-11-21-23(4)12-15/h5-12,22H,13H2,1-4H3
InChIKeyLENATURRVJQMBI-UHFFFAOYSA-N
XLogP3.95
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 70933501) is N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide is Cn1cc(-c2ccc(S(=O)(=O)Nc3ccsc3C(=O)COC(C)(C)C)cc2)cn1.
What is the InChIKey of N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is LENATURRVJQMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-20(2,3)27-13-18(24)19-17(9-10-28-19)22-29(25,26)16-7-5-14(6-8-16)15-11-21-23(4)12-15/h5-12,22H,13H2,1-4H3.
What are the key properties of N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide?
N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 433.56 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-methylpropan-2-yl)oxy]acetyl]thiophen-3-yl]-4-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 70933501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).