4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide

C32H32N2O8S2 — CID 43981188

IUPAC4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(S(=O)(=O)CC)cc4)c(OC)c3)cc2OC)cc1
InChIInChI=1S/C32H32N2O8S2/c1-5-43(37,38)25-13-7-21(8-14-25)31(35)33-27-17-11-23(19-29(27)41-3)24-12-18-28(30(20-24)42-4)34-32(36)22-9-15-26(16-10-22)44(39,40)6-2/h7-20H,5-6H2,1-4H3,(H,33,35)(H,34,36)
InChIKeyARQUJLQTMRXXCC-UHFFFAOYSA-N
MW636.75 g/mol
LogP5.46
Rot. Bonds11

About 4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide

4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide (PubChem CID 43981188) has the molecular formula C32H32N2O8S2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
PubChem CID43981188
Molecular FormulaC32H32N2O8S2
Molecular Weight636.75 g/mol
Exact Mass636.16
IUPAC Name4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(S(=O)(=O)CC)cc4)c(OC)c3)cc2OC)cc1
InChIInChI=1S/C32H32N2O8S2/c1-5-43(37,38)25-13-7-21(8-14-25)31(35)33-27-17-11-23(19-29(27)41-3)24-12-18-28(30(20-24)42-4)34-32(36)22-9-15-26(16-10-22)44(39,40)6-2/h7-20H,5-6H2,1-4H3,(H,33,35)(H,34,36)
InChIKeyARQUJLQTMRXXCC-UHFFFAOYSA-N
XLogP5.46
TPSA144.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-[4-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4136881
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-[4-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 124837249
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
CID 4537878
N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
CID 32608747
N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 43947187
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
N-(2,4-dimethoxyphenyl)-4-(ethylsulfonylamino)benzamide
CID 92643115
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7295315
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 19966637

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
The IUPAC name of 4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide (CID 43981188) is 4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(S(=O)(=O)CC)cc4)c(OC)c3)cc2OC)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
The InChIKey is ARQUJLQTMRXXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O8S2/c1-5-43(37,38)25-13-7-21(8-14-25)31(35)33-27-17-11-23(19-29(27)41-3)24-12-18-28(30(20-24)42-4)34-32(36)22-9-15-26(16-10-22)44(39,40)6-2/h7-20H,5-6H2,1-4H3,(H,33,35)(H,34,36).
What are the key properties of 4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide?
4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide has a molecular weight of 636.75 g/mol, XLogP of 5.46, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 43981188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).