2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide

C20H21N3O3S — CID 78818809

IUPAC2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C20H21N3O3S/c1-14(20(24)22-17-8-5-9-19(13-17)27(21,25)26)23(2)18-11-10-15-6-3-4-7-16(15)12-18/h3-14H,1-2H3,(H,22,24)(H2,21,25,26)
InChIKeyHKGPNJDEVHOZRR-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.95
Rot. Bonds5

About 2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide

2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 78818809) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide
PubChem CID78818809
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C20H21N3O3S/c1-14(20(24)22-17-8-5-9-19(13-17)27(21,25)26)23(2)18-11-10-15-6-3-4-7-16(15)12-18/h3-14H,1-2H3,(H,22,24)(H2,21,25,26)
InChIKeyHKGPNJDEVHOZRR-UHFFFAOYSA-N
XLogP2.95
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78732784
2-[methyl(naphthalen-2-yl)amino]-N-pyrimidin-2-ylpropanamide
CID 78834676
(2R)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274940
(2S)-2-pyrrolidin-1-ium-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 9274937
2-(3-amino-N-methylanilino)-N-phenylpropanamide
CID 61297699
N-cyclopropyl-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78613802
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
(2R)-2-(azepan-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 41023511
(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide
CID 41074647
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78789203
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-(dimethylamino)benzoate
CID 46619536
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide (CID 78818809) is 2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide is CC(C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is HKGPNJDEVHOZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(20(24)22-17-8-5-9-19(13-17)27(21,25)26)23(2)18-11-10-15-6-3-4-7-16(15)12-18/h3-14H,1-2H3,(H,22,24)(H2,21,25,26).
What are the key properties of 2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide?
2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 383.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-yl)amino]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 78818809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).