2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide

C26H27N3O4S — CID 43879777

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide
SMILESCOc1ccc2c(c1)CCC/C2=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H27N3O4S/c1-19-9-6-7-14-25(19)29(34(31,32)22-11-4-3-5-12-22)18-26(30)28-27-24-13-8-10-20-17-21(33-2)15-16-23(20)24/h3-7,9,11-12,14-17H,8,10,13,18H2,1-2H3,(H,28,30)/b27-24+
InChIKeyRFTZIXTZCUNRGM-SOYKGTTHSA-N
MW477.59 g/mol
LogP4.06
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide (PubChem CID 43879777) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide
PubChem CID43879777
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide
SMILESCOc1ccc2c(c1)CCC/C2=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H27N3O4S/c1-19-9-6-7-14-25(19)29(34(31,32)22-11-4-3-5-12-22)18-26(30)28-27-24-13-8-10-20-17-21(33-2)15-16-23(20)24/h3-7,9,11-12,14-17H,8,10,13,18H2,1-2H3,(H,28,30)/b27-24+
InChIKeyRFTZIXTZCUNRGM-SOYKGTTHSA-N
XLogP4.06
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide
CID 43879781
N-[(Z)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883708
N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588840
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 27088718
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880137
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(cyclohexylideneamino)acetamide
CID 3838083
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(cyclododecylideneamino)acetamide
CID 4252454
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 28589215
N-(cyclododecylideneamino)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28589335
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43891889
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide
CID 2716777
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 1318772

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide (CID 43879777) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide is COc1ccc2c(c1)CCC/C2=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide?
The InChIKey is RFTZIXTZCUNRGM-SOYKGTTHSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-19-9-6-7-14-25(19)29(34(31,32)22-11-4-3-5-12-22)18-26(30)28-27-24-13-8-10-20-17-21(33-2)15-16-23(20)24/h3-7,9,11-12,14-17H,8,10,13,18H2,1-2H3,(H,28,30)/b27-24+.
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide has a molecular weight of 477.59 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]acetamide is sourced from PubChem (CID 43879777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).