N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C23H36N4O4S — CID 3238279

IUPACN-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCCOC(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H36N4O4S/c1-16(2)20-9-11-21(12-10-20)27(15-22(28)24-13-8-14-31-17(3)4)32(29,30)23-18(5)25-26(7)19(23)6/h9-12,16-17H,8,13-15H2,1-7H3,(H,24,28)
InChIKeyCENXGGOUZUDPLI-UHFFFAOYSA-N
MW464.63 g/mol
LogP3.29
Rot. Bonds11

About N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 3238279) has the molecular formula C23H36N4O4S and a molecular weight of 464.63 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID3238279
Molecular FormulaC23H36N4O4S
Molecular Weight464.63 g/mol
Exact Mass464.25
IUPAC NameN-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCCOC(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H36N4O4S/c1-16(2)20-9-11-21(12-10-20)27(15-22(28)24-13-8-14-31-17(3)4)32(29,30)23-18(5)25-26(7)19(23)6/h9-12,16-17H,8,13-15H2,1-7H3,(H,24,28)
InChIKeyCENXGGOUZUDPLI-UHFFFAOYSA-N
XLogP3.29
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 3238279) is N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCCOC(C)C)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is CENXGGOUZUDPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4S/c1-16(2)20-9-11-21(12-10-20)27(15-22(28)24-13-8-14-31-17(3)4)32(29,30)23-18(5)25-26(7)19(23)6/h9-12,16-17H,8,13-15H2,1-7H3,(H,24,28).
What are the key properties of N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 464.63 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 3238279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).