4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C18H20ClN3O5S — CID 17257152

IUPAC4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-11(23)22-16-10-17(27-2)14(9-15(16)19)18(24)21-8-7-12-3-5-13(6-4-12)28(20,25)26/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyDECNXACSBBQUIO-UHFFFAOYSA-N
MW425.89 g/mol
LogP1.93
Rot. Bonds7

About 4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 17257152) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID17257152
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC Name4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-11(23)22-16-10-17(27-2)14(9-15(16)19)18(24)21-8-7-12-3-5-13(6-4-12)28(20,25)26/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyDECNXACSBBQUIO-UHFFFAOYSA-N
XLogP1.93
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17257105
4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 4006974
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide
CID 110790237
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677
2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84576032
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 7356959
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 17257152) is 4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is DECNXACSBBQUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-11(23)22-16-10-17(27-2)14(9-15(16)19)18(24)21-8-7-12-3-5-13(6-4-12)28(20,25)26/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26).
What are the key properties of 4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 425.89 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 17257152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).