2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide

C18H21N3O4S — CID 48917207

IUPAC2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide
SMILESCOc1cc(/C(C)=N/NC(=O)CNc2ccccc2)ccc1S(C)(=O)=O
InChIInChI=1S/C18H21N3O4S/c1-13(14-9-10-17(26(3,23)24)16(11-14)25-2)20-21-18(22)12-19-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H,21,22)/b20-13+
InChIKeyIKDZMEOEGIDGRZ-DEDYPNTBSA-N
MW375.45 g/mol
LogP2.05
Rot. Bonds7

About 2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide

2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide (PubChem CID 48917207) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide
PubChem CID48917207
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide
SMILESCOc1cc(/C(C)=N/NC(=O)CNc2ccccc2)ccc1S(C)(=O)=O
InChIInChI=1S/C18H21N3O4S/c1-13(14-9-10-17(26(3,23)24)16(11-14)25-2)20-21-18(22)12-19-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H,21,22)/b20-13+
InChIKeyIKDZMEOEGIDGRZ-DEDYPNTBSA-N
XLogP2.05
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 7933131
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056
2-(4-chloroanilino)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]acetamide
CID 126365422
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035563
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 3111592
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126124265
2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide
CID 7933313

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide (CID 48917207) is 2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide is COc1cc(/C(C)=N/NC(=O)CNc2ccccc2)ccc1S(C)(=O)=O.
What is the InChIKey of 2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide?
The InChIKey is IKDZMEOEGIDGRZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(14-9-10-17(26(3,23)24)16(11-14)25-2)20-21-18(22)12-19-15-7-5-4-6-8-15/h4-11,19H,12H2,1-3H3,(H,21,22)/b20-13+.
What are the key properties of 2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide?
2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide has a molecular weight of 375.45 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 48917207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).