2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide

C27H24ClN3O3S — CID 5008415

IUPAC2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C27H24ClN3O3S/c1-19-10-14-24(15-11-19)35(33,34)31(26-16-23(28)13-12-20(26)2)18-27(32)30-29-17-22-8-5-7-21-6-3-4-9-25(21)22/h3-17H,18H2,1-2H3,(H,30,32)
InChIKeyGPBDEDLAHBPZEF-UHFFFAOYSA-N
MW506.03 g/mol
LogP5.46
Rot. Bonds7

About 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide

2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide (PubChem CID 5008415) has the molecular formula C27H24ClN3O3S and a molecular weight of 506.03 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide
PubChem CID5008415
Molecular FormulaC27H24ClN3O3S
Molecular Weight506.03 g/mol
Exact Mass505.12
IUPAC Name2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C27H24ClN3O3S/c1-19-10-14-24(15-11-19)35(33,34)31(26-16-23(28)13-12-20(26)2)18-27(32)30-29-17-22-8-5-7-21-6-3-4-9-25(21)22/h3-17H,18H2,1-2H3,(H,30,32)
InChIKeyGPBDEDLAHBPZEF-UHFFFAOYSA-N
XLogP5.46
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.03
LogP ≤ 55.46
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

2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137107508
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135916009
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588805
2-[(E)-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 43879462
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 28588593
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28589358
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 92644228
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92644376
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 30172406
N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126190212
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 98061924
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 126035395

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide (CID 5008415) is 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)c2cc(Cl)ccc2C)cc1.
What is the InChIKey of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide?
The InChIKey is GPBDEDLAHBPZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O3S/c1-19-10-14-24(15-11-19)35(33,34)31(26-16-23(28)13-12-20(26)2)18-27(32)30-29-17-22-8-5-7-21-6-3-4-9-25(21)22/h3-17H,18H2,1-2H3,(H,30,32).
What are the key properties of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide?
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide has a molecular weight of 506.03 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide is sourced from PubChem (CID 5008415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).