ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate

C20H24N2O6S — CID 70622907

IUPACethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate
SMILESCCOC(=O)N(C)S(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-28-20(24)22(2)29(25,26)18-10-8-15(9-11-18)12-13-21-19(23)16-6-5-7-17(14-16)27-3/h5-11,14H,4,12-13H2,1-3H3,(H,21,23)
InChIKeyRNHXQPHRUYGLNO-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.44
Rot. Bonds8

About ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate

ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate (PubChem CID 70622907) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate
PubChem CID70622907
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Nameethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate
SMILESCCOC(=O)N(C)S(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-28-20(24)22(2)29(25,26)18-10-8-15(9-11-18)12-13-21-19(23)16-6-5-7-17(14-16)27-3/h5-11,14H,4,12-13H2,1-3H3,(H,21,23)
InChIKeyRNHXQPHRUYGLNO-UHFFFAOYSA-N
XLogP2.44
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate
CID 21389012
ethyl N-[4-[2-[(3-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate
CID 70623296
ethyl N-[4-[2-[[2-(3-chlorophenoxy)acetyl]amino]ethyl]phenyl]sulfonyl-N-methylcarbamate
CID 70623222
3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602541
4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 54233472
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 27646633
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
CID 35325375
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide
CID 110602661

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate?
The IUPAC name of ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate (CID 70622907) is ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate.
What is the SMILES notation for ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate?
The canonical SMILES for ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate is CCOC(=O)N(C)S(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate?
The InChIKey is RNHXQPHRUYGLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-28-20(24)22(2)29(25,26)18-10-8-15(9-11-18)12-13-21-19(23)16-6-5-7-17(14-16)27-3/h5-11,14H,4,12-13H2,1-3H3,(H,21,23).
What are the key properties of ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate?
ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate has a molecular weight of 420.49 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate is sourced from PubChem (CID 70622907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).