2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C27H25N3O5S — CID 136719029

IUPAC2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)N/N=C\c1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H25N3O5S/c1-19-12-15-26(35-2)24(16-19)30(36(33,34)21-9-4-3-5-10-21)18-27(32)29-28-17-23-22-11-7-6-8-20(22)13-14-25(23)31/h3-17,31H,18H2,1-2H3,(H,29,32)/b28-17-
InChIKeyWODPANVVMAVRJR-QRQIAZFYSA-N
MW503.58 g/mol
LogP4.21
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 136719029) has the molecular formula C27H25N3O5S and a molecular weight of 503.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID136719029
Molecular FormulaC27H25N3O5S
Molecular Weight503.58 g/mol
Exact Mass503.15
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)N/N=C\c1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H25N3O5S/c1-19-12-15-26(35-2)24(16-19)30(36(33,34)21-9-4-3-5-10-21)18-27(32)29-28-17-23-22-11-7-6-8-20(22)13-14-25(23)31/h3-17,31H,18H2,1-2H3,(H,29,32)/b28-17-
InChIKeyWODPANVVMAVRJR-QRQIAZFYSA-N
XLogP4.21
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137107675
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 92644335
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 137107827
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137107508
methyl 2-[3-[(E)-[[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 43876827
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 126192355
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 92644319
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126191489
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135422675
N-(anthracen-9-ylmethylideneamino)-2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3610498
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
CID 1210617

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 136719029) is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is COc1ccc(C)cc1N(CC(=O)N/N=C\c1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is WODPANVVMAVRJR-QRQIAZFYSA-N. The full InChI is InChI=1S/C27H25N3O5S/c1-19-12-15-26(35-2)24(16-19)30(36(33,34)21-9-4-3-5-10-21)18-27(32)29-28-17-23-22-11-7-6-8-20(22)13-14-25(23)31/h3-17,31H,18H2,1-2H3,(H,29,32)/b28-17-.
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 503.58 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 136719029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).