3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C19H23N3O4S — CID 1308646

IUPAC3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H23N3O4S/c1-13(2)18(23)22-16-5-3-4-15(12-16)19(24)21-11-10-14-6-8-17(9-7-14)27(20,25)26/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyZEUCBVPUCXDHKD-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.90
Rot. Bonds7

About 3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 1308646) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID1308646
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H23N3O4S/c1-13(2)18(23)22-16-5-3-4-15(12-16)19(24)21-11-10-14-6-8-17(9-7-14)27(20,25)26/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyZEUCBVPUCXDHKD-UHFFFAOYSA-N
XLogP1.90
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55650589
5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55771554
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792440
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
N-(3-acetylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002591
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 1308646) is 3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is CC(C)C(=O)Nc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is ZEUCBVPUCXDHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13(2)18(23)22-16-5-3-4-15(12-16)19(24)21-11-10-14-6-8-17(9-7-14)27(20,25)26/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)(H,22,23)(H2,20,25,26).
What are the key properties of 3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 1308646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).