2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide

C18H21N3O5S — CID 18870118

IUPAC2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H21N3O5S/c1-12(2)18(23)21-14-4-3-5-15(10-14)26-11-17(22)20-13-6-8-16(9-7-13)27(19,24)25/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyAGFFGCIXLSLJJQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.95
Rot. Bonds7

About 2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide

2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide (PubChem CID 18870118) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide
PubChem CID18870118
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H21N3O5S/c1-12(2)18(23)21-14-4-3-5-15(10-14)26-11-17(22)20-13-6-8-16(9-7-13)27(19,24)25/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyAGFFGCIXLSLJJQ-UHFFFAOYSA-N
XLogP1.95
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
2-(3-methoxyphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 19204089
2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 1120128
N-[3-[[2-(3-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 87016346
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119723901
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(3-fluorophenoxy)acetate
CID 8914750
N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830764
N-[3-[[2-(3,5-dinitrophenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 21213315
N-[3-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 18870146
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide (CID 18870118) is 2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide is CC(C)C(=O)Nc1cccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide?
The InChIKey is AGFFGCIXLSLJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-12(2)18(23)21-14-4-3-5-15(10-14)26-11-17(22)20-13-6-8-16(9-7-13)27(19,24)25/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of 2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide?
2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide has a molecular weight of 391.45 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide is sourced from PubChem (CID 18870118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).