N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide

C25H29N3O3S — CID 16576546

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2ccc3c4c(cccc24)CC3)ccc1C
InChIInChI=1S/C25H29N3O3S/c1-4-28(5-2)32(30,31)23-15-20(13-9-17(23)3)27-24(29)16-26-22-14-12-19-11-10-18-7-6-8-21(22)25(18)19/h6-9,12-15,26H,4-5,10-11,16H2,1-3H3,(H,27,29)
InChIKeyVJNXVFUBJPIESD-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.33
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide (PubChem CID 16576546) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide
PubChem CID16576546
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2ccc3c4c(cccc24)CC3)ccc1C
InChIInChI=1S/C25H29N3O3S/c1-4-28(5-2)32(30,31)23-15-20(13-9-17(23)3)27-24(29)16-26-22-14-12-19-11-10-18-7-6-8-21(22)25(18)19/h6-9,12-15,26H,4-5,10-11,16H2,1-3H3,(H,27,29)
InChIKeyVJNXVFUBJPIESD-UHFFFAOYSA-N
XLogP4.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 55470342
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 30837665
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide
CID 9100299
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711948
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
CID 7312561
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333516
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 35811813
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8828438

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide (CID 16576546) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2ccc3c4c(cccc24)CC3)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide?
The InChIKey is VJNXVFUBJPIESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-4-28(5-2)32(30,31)23-15-20(13-9-17(23)3)27-24(29)16-26-22-14-12-19-11-10-18-7-6-8-21(22)25(18)19/h6-9,12-15,26H,4-5,10-11,16H2,1-3H3,(H,27,29).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide has a molecular weight of 451.59 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide is sourced from PubChem (CID 16576546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).