ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate

C20H24N2O6S — CID 21389012

IUPACethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate
SMILESCCOC(=O)NCS(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-28-20(24)22-14-29(25,26)18-9-7-15(8-10-18)11-12-21-19(23)16-5-4-6-17(13-16)27-2/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIWYCVEGJEIOKIT-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.14
Rot. Bonds9

About ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate

ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate (PubChem CID 21389012) 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]sulfonylmethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate
PubChem CID21389012
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Nameethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate
SMILESCCOC(=O)NCS(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-28-20(24)22-14-29(25,26)18-9-7-15(8-10-18)11-12-21-19(23)16-5-4-6-17(13-16)27-2/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIWYCVEGJEIOKIT-UHFFFAOYSA-N
XLogP2.14
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.14
H-Bond Donors ≤ 52
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]sulfonyl-N-methylcarbamate
CID 70622907
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide
CID 110602661
3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
CID 110789338
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 110790612
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate?
The IUPAC name of ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate (CID 21389012) is ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate.
What is the SMILES notation for ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate?
The canonical SMILES for ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate is CCOC(=O)NCS(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate?
The InChIKey is IWYCVEGJEIOKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-3-28-20(24)22-14-29(25,26)18-9-7-15(8-10-18)11-12-21-19(23)16-5-4-6-17(13-16)27-2/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate?
ethyl N-[[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonylmethyl]carbamate has a molecular weight of 420.49 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 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]sulfonylmethyl]carbamate is sourced from PubChem (CID 21389012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).