N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide

C20H31N3O4S — CID 3248322

IUPACN-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O
InChIInChI=1S/C20H31N3O4S/c1-20(2,3)15-10-12-16(13-11-15)21-22-19(24)14-23(28(5,25)26)17-8-6-7-9-18(17)27-4/h6-9,15H,10-14H2,1-5H3,(H,22,24)/b21-16-
InChIKeyKXRRWCMDVAKWHT-PGMHBOJBSA-N
MW409.55 g/mol
LogP3.17
Rot. Bonds6

About N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide

N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 3248322) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID3248322
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O
InChIInChI=1S/C20H31N3O4S/c1-20(2,3)15-10-12-16(13-11-15)21-22-19(24)14-23(28(5,25)26)17-8-6-7-9-18(17)27-4/h6-9,15H,10-14H2,1-5H3,(H,22,24)/b21-16-
InChIKeyKXRRWCMDVAKWHT-PGMHBOJBSA-N
XLogP3.17
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 53.17
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

N-[(4-tert-butylcyclohexylidene)amino]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 3983362
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
CID 3406489
N-[(4-tert-butylcyclohexylidene)amino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126035261
N-(cyclododecylideneamino)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28589335
N-[(4-tert-butylcyclohexylidene)amino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126118642
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3949286
2-(2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30243488
N-[(4-tert-butylcyclohexylidene)amino]-2-methoxy-2-phenylacetamide
CID 3974139
N-(2-tert-butylsulfanylethyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 2289798
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 3618389
2-(2-methoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564349
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
CID 124544256

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide (CID 3248322) is N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide is COc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is KXRRWCMDVAKWHT-PGMHBOJBSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-20(2,3)15-10-12-16(13-11-15)21-22-19(24)14-23(28(5,25)26)17-8-6-7-9-18(17)27-4/h6-9,15H,10-14H2,1-5H3,(H,22,24)/b21-16-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 409.55 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3248322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).