N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide

C37H31ClN2O5S2 — CID 70031719

IUPACN-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1cc(C(=O)CN(CCOc2ccc3c(c2)sc2ccccc23)C(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C37H31ClN2O5S2/c1-47(43,44)40(24-26-10-4-2-5-11-26)33-22-28(16-19-32(33)38)34(41)25-39(37(42)27-12-6-3-7-13-27)20-21-45-29-17-18-31-30-14-8-9-15-35(30)46-36(31)23-29/h2-19,22-23H,20-21,24-25H2,1H3
InChIKeyVBZSQRSFMKFICZ-UHFFFAOYSA-N
MW683.25 g/mol
LogP8.08
Rot. Bonds12

About N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide

N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide (PubChem CID 70031719) has the molecular formula C37H31ClN2O5S2 and a molecular weight of 683.25 g/mol. Its IUPAC name is N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide
PubChem CID70031719
Molecular FormulaC37H31ClN2O5S2
Molecular Weight683.25 g/mol
Exact Mass682.14
IUPAC NameN-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1cc(C(=O)CN(CCOc2ccc3c(c2)sc2ccccc23)C(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C37H31ClN2O5S2/c1-47(43,44)40(24-26-10-4-2-5-11-26)33-22-28(16-19-32(33)38)34(41)25-39(37(42)27-12-6-3-7-13-27)20-21-45-29-17-18-31-30-14-8-9-15-35(30)46-36(31)23-29/h2-19,22-23H,20-21,24-25H2,1H3
InChIKeyVBZSQRSFMKFICZ-UHFFFAOYSA-N
XLogP8.08
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.25
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)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 N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide?
The IUPAC name of N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide (CID 70031719) is N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide.
What is the SMILES notation for N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide?
The canonical SMILES for N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide is CS(=O)(=O)N(Cc1ccccc1)c1cc(C(=O)CN(CCOc2ccc3c(c2)sc2ccccc23)C(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide?
The InChIKey is VBZSQRSFMKFICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31ClN2O5S2/c1-47(43,44)40(24-26-10-4-2-5-11-26)33-22-28(16-19-32(33)38)34(41)25-39(37(42)27-12-6-3-7-13-27)20-21-45-29-17-18-31-30-14-8-9-15-35(30)46-36(31)23-29/h2-19,22-23H,20-21,24-25H2,1H3.
What are the key properties of N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide?
N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide has a molecular weight of 683.25 g/mol, XLogP of 8.08, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide is sourced from PubChem (CID 70031719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).