N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide

C24H29N3O5S — CID 92672920

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H29N3O5S/c28-23(19-11-9-18(10-12-19)17-33(30,31)27-13-3-4-14-27)26-22-8-2-1-7-21(22)24(29)25-16-20-6-5-15-32-20/h1-2,7-12,20H,3-6,13-17H2,(H,25,29)(H,26,28)/t20-/m1/s1
InChIKeyZBPOIJMRNHPYLG-HXUWFJFHSA-N
MW471.58 g/mol
LogP2.77
Rot. Bonds8

About N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide

N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide (PubChem CID 92672920) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
PubChem CID92672920
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C24H29N3O5S/c28-23(19-11-9-18(10-12-19)17-33(30,31)27-13-3-4-14-27)26-22-8-2-1-7-21(22)24(29)25-16-20-6-5-15-32-20/h1-2,7-12,20H,3-6,13-17H2,(H,25,29)(H,26,28)/t20-/m1/s1
InChIKeyZBPOIJMRNHPYLG-HXUWFJFHSA-N
XLogP2.77
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
N-(2-phenylethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 46763665
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
N-(2-methoxyethyl)-2-[[4-(piperidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 99960058
2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100672
2-[[4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 125057642
1-(benzenesulfonyl)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 133167045
N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 28565234
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide (CID 92672920) is N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide is O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(CS(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
The InChIKey is ZBPOIJMRNHPYLG-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N3O5S/c28-23(19-11-9-18(10-12-19)17-33(30,31)27-13-3-4-14-27)26-22-8-2-1-7-21(22)24(29)25-16-20-6-5-15-32-20/h1-2,7-12,20H,3-6,13-17H2,(H,25,29)(H,26,28)/t20-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide has a molecular weight of 471.58 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 92672920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).