N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide

C29H32N4O5S — CID 58276870

IUPACN-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide
SMILESCc1cc(CN(CC(=O)N(Cc2ccc3occc3c2)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1
InChIInChI=1S/C29H32N4O5S/c1-20(2)16-32(17-22-5-7-27-23(14-22)9-11-37-27)29(34)19-33(18-25-13-21(3)30-31(25)4)39(35,36)26-6-8-28-24(15-26)10-12-38-28/h5-15,20H,16-19H2,1-4H3
InChIKeyQAEBGSNDAPGTJN-UHFFFAOYSA-N
MW548.67 g/mol
LogP5.10
Rot. Bonds10

About N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide

N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide (PubChem CID 58276870) has the molecular formula C29H32N4O5S and a molecular weight of 548.67 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide
PubChem CID58276870
Molecular FormulaC29H32N4O5S
Molecular Weight548.67 g/mol
Exact Mass548.21
IUPAC NameN-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide
SMILESCc1cc(CN(CC(=O)N(Cc2ccc3occc3c2)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1
InChIInChI=1S/C29H32N4O5S/c1-20(2)16-32(17-22-5-7-27-23(14-22)9-11-37-27)29(34)19-33(18-25-13-21(3)30-31(25)4)39(35,36)26-6-8-28-24(15-26)10-12-38-28/h5-15,20H,16-19H2,1-4H3
InChIKeyQAEBGSNDAPGTJN-UHFFFAOYSA-N
XLogP5.10
TPSA101.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.67
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)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-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide (CID 58276870) is N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide is Cc1cc(CN(CC(=O)N(Cc2ccc3occc3c2)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1.
What is the InChIKey of N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide?
The InChIKey is QAEBGSNDAPGTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5S/c1-20(2)16-32(17-22-5-7-27-23(14-22)9-11-37-27)29(34)19-33(18-25-13-21(3)30-31(25)4)39(35,36)26-6-8-28-24(15-26)10-12-38-28/h5-15,20H,16-19H2,1-4H3.
What are the key properties of N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide?
N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide has a molecular weight of 548.67 g/mol, XLogP of 5.10, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 58276870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).