N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide

C22H21N3O6S — CID 30697316

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC(N)=O)c2)cc1
InChIInChI=1S/C22H21N3O6S/c1-30-20-8-3-2-7-19(20)25-32(28,29)18-11-9-15(10-12-18)22(27)24-16-5-4-6-17(13-16)31-14-21(23)26/h2-13,25H,14H2,1H3,(H2,23,26)(H,24,27)
InChIKeyMEQBTPSNPYRCEA-UHFFFAOYSA-N
MW455.49 g/mol
LogP2.61
Rot. Bonds9

About N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 30697316) has the molecular formula C22H21N3O6S and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID30697316
Molecular FormulaC22H21N3O6S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC(N)=O)c2)cc1
InChIInChI=1S/C22H21N3O6S/c1-30-20-8-3-2-7-19(20)25-32(28,29)18-11-9-15(10-12-18)22(27)24-16-5-4-6-17(13-16)31-14-21(23)26/h2-13,25H,14H2,1H3,(H2,23,26)(H,24,27)
InChIKeyMEQBTPSNPYRCEA-UHFFFAOYSA-N
XLogP2.61
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 30379129
N-(3,4-diethoxyphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26878798
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9083669
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55960868
2-[(4-carbamoylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 18100692
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
4-[(2-methoxyphenyl)sulfamoyl]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 30750492

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 30697316) is N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC(N)=O)c2)cc1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is MEQBTPSNPYRCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S/c1-30-20-8-3-2-7-19(20)25-32(28,29)18-11-9-15(10-12-18)22(27)24-16-5-4-6-17(13-16)31-14-21(23)26/h2-13,25H,14H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 455.49 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 30697316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).