N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide

C24H28N4O5S — CID 5309847

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H28N4O5S/c1-15(2)18-5-8-20(9-6-18)28(34(30,31)24-16(3)26-27-17(24)4)14-23(29)25-19-7-10-21-22(13-19)33-12-11-32-21/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyIDKIFUIWXQDDQV-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.76
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide (PubChem CID 5309847) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
PubChem CID5309847
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H28N4O5S/c1-15(2)18-5-8-20(9-6-18)28(34(30,31)24-16(3)26-27-17(24)4)14-23(29)25-19-7-10-21-22(13-19)33-12-11-32-21/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyIDKIFUIWXQDDQV-UHFFFAOYSA-N
XLogP3.76
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide (CID 5309847) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide is Cc1n[nH]c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
The InChIKey is IDKIFUIWXQDDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-15(2)18-5-8-20(9-6-18)28(34(30,31)24-16(3)26-27-17(24)4)14-23(29)25-19-7-10-21-22(13-19)33-12-11-32-21/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,29)(H,26,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide has a molecular weight of 484.58 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide is sourced from PubChem (CID 5309847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).