4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C22H27N3O4S — CID 2957591

IUPAC4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-2-3-6-21(26)23-18-9-7-17(8-10-18)22(27)24-19-11-13-20(14-12-19)30(28,29)25-15-4-5-16-25/h7-14H,2-6,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyHDMKUPXHGNTSEK-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.85
Rot. Bonds8

About 4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 2957591) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID2957591
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-2-3-6-21(26)23-18-9-7-17(8-10-18)22(27)24-19-11-13-20(14-12-19)30(28,29)25-15-4-5-16-25/h7-14H,2-6,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyHDMKUPXHGNTSEK-UHFFFAOYSA-N
XLogP3.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide 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 4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 2957591) is 4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is HDMKUPXHGNTSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-2-3-6-21(26)23-18-9-7-17(8-10-18)22(27)24-19-11-13-20(14-12-19)30(28,29)25-15-4-5-16-25/h7-14H,2-6,15-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 429.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentanoylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 2957591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).