N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C28H39N3O3S — CID 28588840

IUPACN-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccccc2C)cc1
InChIInChI=1S/C28H39N3O3S/c1-23-18-20-26(21-19-23)35(33,34)31(27-17-13-12-14-24(27)2)22-28(32)30-29-25-15-10-8-6-4-3-5-7-9-11-16-25/h12-14,17-21H,3-11,15-16,22H2,1-2H3,(H,30,32)
InChIKeyGZLACOUUCZVMSS-UHFFFAOYSA-N
MW497.71 g/mol
LogP6.28
Rot. Bonds6

About N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 28588840) has the molecular formula C28H39N3O3S and a molecular weight of 497.71 g/mol. Its IUPAC name is N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID28588840
Molecular FormulaC28H39N3O3S
Molecular Weight497.71 g/mol
Exact Mass497.27
IUPAC NameN-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccccc2C)cc1
InChIInChI=1S/C28H39N3O3S/c1-23-18-20-26(21-19-23)35(33,34)31(27-17-13-12-14-24(27)2)22-28(32)30-29-25-15-10-8-6-4-3-5-7-9-11-16-25/h12-14,17-21H,3-11,15-16,22H2,1-2H3,(H,30,32)
InChIKeyGZLACOUUCZVMSS-UHFFFAOYSA-N
XLogP6.28
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.71
LogP ≤ 56.28
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

N-(cyclododecylideneamino)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28589335
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(cyclohexylideneamino)acetamide
CID 3838083
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 3442298
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide
CID 1370011
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(cyclododecylideneamino)acetamide
CID 4252454
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 27046659
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide
CID 126122408
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide
CID 126134968
N-(cyclooctylideneamino)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 1103816
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
CID 126034636
N-(2,5-dimethylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30170327
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588805

Frequently Asked Questions

What is the IUPAC name of N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 28588840) is N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccccc2C)cc1.
What is the InChIKey of N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is GZLACOUUCZVMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3S/c1-23-18-20-26(21-19-23)35(33,34)31(27-17-13-12-14-24(27)2)22-28(32)30-29-25-15-10-8-6-4-3-5-7-9-11-16-25/h12-14,17-21H,3-11,15-16,22H2,1-2H3,(H,30,32).
What are the key properties of N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 497.71 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 28588840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).