2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide

C23H28ClN3O4S — CID 126118023

IUPAC2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H28ClN3O4S/c1-31-21-12-14-22(15-13-21)32(29,30)27(20-11-7-8-18(24)16-20)17-23(28)26-25-19-9-5-3-2-4-6-10-19/h7-8,11-16H,2-6,9-10,17H2,1H3,(H,26,28)
InChIKeyDNUIUGIOUQLLGJ-UHFFFAOYSA-N
MW478.01 g/mol
LogP4.76
Rot. Bonds7

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

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide (PubChem CID 126118023) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide
PubChem CID126118023
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H28ClN3O4S/c1-31-21-12-14-22(15-13-21)32(29,30)27(20-11-7-8-18(24)16-20)17-23(28)26-25-19-9-5-3-2-4-6-10-19/h7-8,11-16H,2-6,9-10,17H2,1H3,(H,26,28)
InChIKeyDNUIUGIOUQLLGJ-UHFFFAOYSA-N
XLogP4.76
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 54.76
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-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide
CID 1370011
N-[(4-tert-butylcyclohexylidene)amino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126118642
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126126072
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
CID 126034636
N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1318370
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(cyclooctylideneamino)acetamide
CID 1041908
N-tert-butyl-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280450
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 2858984
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
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126125629

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide (CID 126118023) is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide?
The InChIKey is DNUIUGIOUQLLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-31-21-12-14-22(15-13-21)32(29,30)27(20-11-7-8-18(24)16-20)17-23(28)26-25-19-9-5-3-2-4-6-10-19/h7-8,11-16H,2-6,9-10,17H2,1H3,(H,26,28).
What are the key properties of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide?
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide has a molecular weight of 478.01 g/mol, XLogP of 4.76, 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-(cyclooctylideneamino)acetamide is sourced from PubChem (CID 126118023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).