N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide

C15H24N2O5S — CID 53288570

IUPACN-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
SMILESCOCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-21-12-10-16-15(18)9-6-11-17(23(3,19)20)13-7-4-5-8-14(13)22-2/h4-5,7-8H,6,9-12H2,1-3H3,(H,16,18)
InChIKeyKTCZBDJHYQIMQI-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.00
Rot. Bonds10

About N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide

N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 53288570) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID53288570
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC NameN-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
SMILESCOCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-21-12-10-16-15(18)9-6-11-17(23(3,19)20)13-7-4-5-8-14(13)22-2/h4-5,7-8H,6,9-12H2,1-3H3,(H,16,18)
InChIKeyKTCZBDJHYQIMQI-UHFFFAOYSA-N
XLogP1.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100641559
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53288641
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113144502
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 53288183
4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132659275
4-[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 100504848
N-[(3-ethoxyphenyl)methyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288365
N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288629

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide (CID 53288570) is N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide is COCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is KTCZBDJHYQIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-21-12-10-16-15(18)9-6-11-17(23(3,19)20)13-7-4-5-8-14(13)22-2/h4-5,7-8H,6,9-12H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 344.43 g/mol, XLogP of 1.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53288570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).