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

C37H31ClN2O6S — CID 70032800

IUPACN-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1cc(C(=O)CN(CCOc2ccc3c(c2)oc2ccccc23)C(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C37H31ClN2O6S/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
InChIKeyVFYIPDHHLVJBMY-UHFFFAOYSA-N
MW667.18 g/mol
LogP7.61
Rot. Bonds12

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

N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide (PubChem CID 70032800) has the molecular formula C37H31ClN2O6S and a molecular weight of 667.18 g/mol. Its IUPAC name is N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide
PubChem CID70032800
Molecular FormulaC37H31ClN2O6S
Molecular Weight667.18 g/mol
Exact Mass666.16
IUPAC NameN-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1cc(C(=O)CN(CCOc2ccc3c(c2)oc2ccccc23)C(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C37H31ClN2O6S/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
InChIKeyVFYIPDHHLVJBMY-UHFFFAOYSA-N
XLogP7.61
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.18
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-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

Related Compounds

N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide
CID 70031719
N-benzyl-N-[5-[2-[benzyl(2-dibenzothiophen-3-yloxyethyl)amino]acetyl]-2-chlorophenyl]methanesulfonamide
CID 70033963
N-benzyl-N-[5-[2-[[3-(9H-carbazol-2-yloxy)-1-phenylpropyl]amino]acetyl]-2-chlorophenyl]methanesulfonamide;hydrochloride
CID 70032911
benzyl-[2-[4-(2-bromoacetyl)phenoxy]ethyl]carbamic acid
CID 87975326
N-[2-(4-bromo-3-nitrophenyl)-2-oxoethyl]-N-(2-dibenzothiophen-3-yloxyethyl)benzamide
CID 70034290
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619
N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 113222065
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-dibenzofuran-2-ylbenzamide
CID 16552391
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,4-dichloro-N-(2-methoxyethyl)benzamide
CID 5055169
N-benzyl-4-chloro-N-[(2R)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
CID 2368717
N-benzyl-4-chloro-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
CID 2368715
N-benzyl-N-(3-dibenzofuran-2-yloxy-2-hydroxypropyl)furan-2-carboxamide
CID 5093401

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide?
The IUPAC name of N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide (CID 70032800) is N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide.
What is the SMILES notation for N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide?
The canonical SMILES for N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide is CS(=O)(=O)N(Cc1ccccc1)c1cc(C(=O)CN(CCOc2ccc3c(c2)oc2ccccc23)C(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide?
The InChIKey is VFYIPDHHLVJBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31ClN2O6S/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-dibenzofuran-3-yloxyethyl)benzamide?
N-[2-[3-[benzyl(methylsulfonyl)amino]-4-chlorophenyl]-2-oxoethyl]-N-(2-dibenzofuran-3-yloxyethyl)benzamide has a molecular weight of 667.18 g/mol, XLogP of 7.61, 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-dibenzofuran-3-yloxyethyl)benzamide is sourced from PubChem (CID 70032800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).