3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide

C19H23ClN2O3S — CID 110310771

IUPAC3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
SMILESCC(Cc1ccc(Cl)cc1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-14(13-16-4-8-17(20)9-5-16)19(23)22-12-2-3-15-6-10-18(11-7-15)26(21,24)25/h4-11,14H,2-3,12-13H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyYGCRRPZFSPJSKU-UHFFFAOYSA-N
MW394.92 g/mol
LogP2.91
Rot. Bonds8

About 3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide

3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide (PubChem CID 110310771) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
PubChem CID110310771
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
SMILESCC(Cc1ccc(Cl)cc1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-14(13-16-4-8-17(20)9-5-16)19(23)22-12-2-3-15-6-10-18(11-7-15)26(21,24)25/h4-11,14H,2-3,12-13H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyYGCRRPZFSPJSKU-UHFFFAOYSA-N
XLogP2.91
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
5-amino-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104684895
3-methyl-2-(4-methylphenyl)-N-[3-(4-sulfamoylphenyl)propyl]butanamide
CID 110313954
4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide
CID 3915071
2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293779
(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide
CID 95328053
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759
3,3,3-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60906071
2,3,4-trifluoro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293770
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide (CID 110310771) is 3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide is CC(Cc1ccc(Cl)cc1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
The InChIKey is YGCRRPZFSPJSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14(13-16-4-8-17(20)9-5-16)19(23)22-12-2-3-15-6-10-18(11-7-15)26(21,24)25/h4-11,14H,2-3,12-13H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide?
3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide has a molecular weight of 394.92 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide is sourced from PubChem (CID 110310771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).