2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide

C23H25N3O4S — CID 55470342

IUPAC2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc3c4c(cccc24)CC3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H25N3O4S/c1-26(2)31(28,29)21-13-17(10-12-20(21)30-3)25-22(27)14-24-19-11-9-16-8-7-15-5-4-6-18(19)23(15)16/h4-6,9-13,24H,7-8,14H2,1-3H3,(H,25,27)
InChIKeyDZLLNTQBJIMSQY-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.25
Rot. Bonds7

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

2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide (PubChem CID 55470342) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
PubChem CID55470342
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc3c4c(cccc24)CC3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H25N3O4S/c1-26(2)31(28,29)21-13-17(10-12-20(21)30-3)25-22(27)14-24-19-11-9-16-8-7-15-5-4-6-18(19)23(15)16/h4-6,9-13,24H,7-8,14H2,1-3H3,(H,25,27)
InChIKeyDZLLNTQBJIMSQY-UHFFFAOYSA-N
XLogP3.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide
CID 16576546
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 35811813
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55535495
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(3-nitroanilino)acetamide
CID 46537107
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898309
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106631
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55918830
N-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide (CID 55470342) is 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)CNc2ccc3c4c(cccc24)CC3)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
The InChIKey is DZLLNTQBJIMSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-26(2)31(28,29)21-13-17(10-12-20(21)30-3)25-22(27)14-24-19-11-9-16-8-7-15-5-4-6-18(19)23(15)16/h4-6,9-13,24H,7-8,14H2,1-3H3,(H,25,27).
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide?
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide has a molecular weight of 439.54 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 55470342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).