2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide

C18H20ClN3O4S — CID 126126072

IUPAC2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-13(2)20-21-18(23)12-22(15-6-4-5-14(19)11-15)27(24,25)17-9-7-16(26-3)8-10-17/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyUFFHGRUFEFKWDW-UHFFFAOYSA-N
MW409.90 g/mol
LogP3.06
Rot. Bonds7

About 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide (PubChem CID 126126072) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
PubChem CID126126072
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-13(2)20-21-18(23)12-22(15-6-4-5-14(19)11-15)27(24,25)17-9-7-16(26-3)8-10-17/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyUFFHGRUFEFKWDW-UHFFFAOYSA-N
XLogP3.06
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 53.06
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-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126034155
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126122743
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 126123028
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide
CID 126118023
N-tert-butyl-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280450
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 126131461
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133249804
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 126140562
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126125629
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126125145
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 53280542

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide (CID 126126072) is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
The InChIKey is UFFHGRUFEFKWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-13(2)20-21-18(23)12-22(15-6-4-5-14(19)11-15)27(24,25)17-9-7-16(26-3)8-10-17/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide has a molecular weight of 409.90 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 126126072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).