3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C19H25N3O3S — CID 109027627

IUPAC3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H25N3O3S/c1-14-3-4-15(2)18(13-14)21-12-10-19(23)22-11-9-16-5-7-17(8-6-16)26(20,24)25/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyOFNVPESTUVPPNI-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.11
Rot. Bonds8

About 3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 109027627) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID109027627
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H25N3O3S/c1-14-3-4-15(2)18(13-14)21-12-10-19(23)22-11-9-16-5-7-17(8-6-16)26(20,24)25/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyOFNVPESTUVPPNI-UHFFFAOYSA-N
XLogP2.11
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027647
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027685
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538895
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55864568
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 109027627) is 3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is Cc1ccc(C)c(NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is OFNVPESTUVPPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-3-4-15(2)18(13-14)21-12-10-19(23)22-11-9-16-5-7-17(8-6-16)26(20,24)25/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)(H2,20,24,25).
What are the key properties of 3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 375.49 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 109027627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).