2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide

C23H27N3O3S — CID 166187935

IUPAC2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)C(C)c1cccc(S(N)(=O)=O)c1)c1cccc2ccccc12
InChIInChI=1S/C23H27N3O3S/c1-16(21-13-7-9-18-8-4-5-12-22(18)21)25-23(27)15-26(3)17(2)19-10-6-11-20(14-19)30(24,28)29/h4-14,16-17H,15H2,1-3H3,(H,25,27)(H2,24,28,29)
InChIKeyNGJUTTMXFRGKMH-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.36
Rot. Bonds7

About 2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide

2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 166187935) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide
PubChem CID166187935
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN(C)C(C)c1cccc(S(N)(=O)=O)c1)c1cccc2ccccc12
InChIInChI=1S/C23H27N3O3S/c1-16(21-13-7-9-18-8-4-5-12-22(18)21)25-23(27)15-26(3)17(2)19-10-6-11-20(14-19)30(24,28)29/h4-14,16-17H,15H2,1-3H3,(H,25,27)(H2,24,28,29)
InChIKeyNGJUTTMXFRGKMH-UHFFFAOYSA-N
XLogP3.36
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46404019
N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide
CID 51135786
N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide
CID 24636391
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 167857934
2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
CID 55552669
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 78813976
2-(9-oxoacridin-10-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134051234
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123169

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide (CID 166187935) is 2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide is CC(NC(=O)CN(C)C(C)c1cccc(S(N)(=O)=O)c1)c1cccc2ccccc12.
What is the InChIKey of 2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide?
The InChIKey is NGJUTTMXFRGKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16(21-13-7-9-18-8-4-5-12-22(18)21)25-23(27)15-26(3)17(2)19-10-6-11-20(14-19)30(24,28)29/h4-14,16-17H,15H2,1-3H3,(H,25,27)(H2,24,28,29).
What are the key properties of 2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide?
2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 425.55 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 166187935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).