4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide

C27H29NO5S — CID 55763148

IUPAC4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H29NO5S/c1-32-26-12-6-5-8-23(26)18-28(19-24-9-7-17-33-24)27(29)22-15-13-21(14-16-22)20-34(30,31)25-10-3-2-4-11-25/h2-6,8,10-16,24H,7,9,17-20H2,1H3
InChIKeySTZUXHBKKQZRDV-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.49
Rot. Bonds9

About 4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide

4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 55763148) has the molecular formula C27H29NO5S and a molecular weight of 479.60 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID55763148
Molecular FormulaC27H29NO5S
Molecular Weight479.60 g/mol
Exact Mass479.18
IUPAC Name4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C27H29NO5S/c1-32-26-12-6-5-8-23(26)18-28(19-24-9-7-17-33-24)27(29)22-15-13-21(14-16-22)20-34(30,31)25-10-3-2-4-11-25/h2-6,8,10-16,24H,7,9,17-20H2,1H3
InChIKeySTZUXHBKKQZRDV-UHFFFAOYSA-N
XLogP4.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)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

4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
3-iodo-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967993
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968511
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 55763179
N-[(2-methoxyphenyl)methyl]-1,3-dioxo-N,2-bis(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55968894
5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55969027
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 75910284
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 55763148) is 4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccccc1CN(CC1CCCO1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is STZUXHBKKQZRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO5S/c1-32-26-12-6-5-8-23(26)18-28(19-24-9-7-17-33-24)27(29)22-15-13-21(14-16-22)20-34(30,31)25-10-3-2-4-11-25/h2-6,8,10-16,24H,7,9,17-20H2,1H3.
What are the key properties of 4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 479.60 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 55763148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).