N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C29H27N3O3S — CID 126190212

IUPACN-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc3c4c(cccc24)CC3)c2ccccc2C)cc1
InChIInChI=1S/C29H27N3O3S/c1-20-10-16-25(17-11-20)36(34,35)32(27-9-4-3-6-21(27)2)19-28(33)31-30-18-24-15-14-23-13-12-22-7-5-8-26(24)29(22)23/h3-11,14-18H,12-13,19H2,1-2H3,(H,31,33)/b30-18-
InChIKeyGSPKGAZNWPLLGI-YKQZZPSBSA-N
MW497.62 g/mol
LogP4.90
Rot. Bonds7

About N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 126190212) has the molecular formula C29H27N3O3S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID126190212
Molecular FormulaC29H27N3O3S
Molecular Weight497.62 g/mol
Exact Mass497.18
IUPAC NameN-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc3c4c(cccc24)CC3)c2ccccc2C)cc1
InChIInChI=1S/C29H27N3O3S/c1-20-10-16-25(17-11-20)36(34,35)32(27-9-4-3-6-21(27)2)19-28(33)31-30-18-24-15-14-23-13-12-22-7-5-8-26(24)29(22)23/h3-11,14-18H,12-13,19H2,1-2H3,(H,31,33)/b30-18-
InChIKeyGSPKGAZNWPLLGI-YKQZZPSBSA-N
XLogP4.90
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 28589417
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588805
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 27046659
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]acetamide
CID 28577117
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588796
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6022806
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]acetamide
CID 126034470
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5008415
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 126035395
[4-[(Z)-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 28588816
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide
CID 2716777
N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588840

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 126190212) is N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc3c4c(cccc24)CC3)c2ccccc2C)cc1.
What is the InChIKey of N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is GSPKGAZNWPLLGI-YKQZZPSBSA-N. The full InChI is InChI=1S/C29H27N3O3S/c1-20-10-16-25(17-11-20)36(34,35)32(27-9-4-3-6-21(27)2)19-28(33)31-30-18-24-15-14-23-13-12-22-7-5-8-26(24)29(22)23/h3-11,14-18H,12-13,19H2,1-2H3,(H,31,33)/b30-18-.
What are the key properties of N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 497.62 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126190212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).