3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide

C18H22ClN3O3S — CID 166383331

IUPAC3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(CN)c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H22ClN3O3S/c1-2-17(13-4-3-5-15(10-13)26(21,24)25)22-18(23)16(11-20)12-6-8-14(19)9-7-12/h3-10,16-17H,2,11,20H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyFTLXDFFZCWZFGZ-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.30
Rot. Bonds7

About 3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide

3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide (PubChem CID 166383331) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide
PubChem CID166383331
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(CN)c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H22ClN3O3S/c1-2-17(13-4-3-5-15(10-13)26(21,24)25)22-18(23)16(11-20)12-6-8-14(19)9-7-12/h3-10,16-17H,2,11,20H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyFTLXDFFZCWZFGZ-UHFFFAOYSA-N
XLogP2.30
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-2-hydroxy-N-[1-(3-sulfamoylphenyl)propyl]acetamide
CID 166223102
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
5-chloro-N-[1-(3-sulfamoylphenyl)propyl]furan-2-carboxamide
CID 56826904
2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 65225138
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213542
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 122145623
(3S)-3-(4-chlorophenyl)-3-(2-phenylbutanoylamino)propanoic acid
CID 120606635
(3S)-3-(4-chlorophenyl)-3-[[(2R)-2-phenylbutanoyl]amino]propanoic acid
CID 7045314
2-(4-chlorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213474
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide?
The IUPAC name of 3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide (CID 166383331) is 3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide.
What is the SMILES notation for 3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide?
The canonical SMILES for 3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide is CCC(NC(=O)C(CN)c1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide?
The InChIKey is FTLXDFFZCWZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-2-17(13-4-3-5-15(10-13)26(21,24)25)22-18(23)16(11-20)12-6-8-14(19)9-7-12/h3-10,16-17H,2,11,20H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide?
3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide has a molecular weight of 395.91 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide is sourced from PubChem (CID 166383331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).