N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide

C24H34N2O5S — CID 100502728

IUPACN-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide
SMILESCCc1ccc(OCCNC(=O)CCCN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H34N2O5S/c1-5-20-11-13-22(14-12-20)30-17-15-25-24(27)10-7-16-26(32(4,28)29)21-8-6-9-23(18-21)31-19(2)3/h6,8-9,11-14,18-19H,5,7,10,15-17H2,1-4H3,(H,25,27)
InChIKeyDEUNWGHFXSVWKC-UHFFFAOYSA-N
MW462.61 g/mol
LogP3.78
Rot. Bonds13

About N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide

N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide (PubChem CID 100502728) has the molecular formula C24H34N2O5S and a molecular weight of 462.61 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide
PubChem CID100502728
Molecular FormulaC24H34N2O5S
Molecular Weight462.61 g/mol
Exact Mass462.22
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide
SMILESCCc1ccc(OCCNC(=O)CCCN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H34N2O5S/c1-5-20-11-13-22(14-12-20)30-17-15-25-24(27)10-7-16-26(32(4,28)29)21-8-6-9-23(18-21)31-19(2)3/h6,8-9,11-14,18-19H,5,7,10,15-17H2,1-4H3,(H,25,27)
InChIKeyDEUNWGHFXSVWKC-UHFFFAOYSA-N
XLogP3.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-methylphenoxy)ethyl]-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 100501876
4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 53286743
4-(4-methoxy-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286658
4-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100500128
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide
CID 30242392
4-(N-methylsulfonyl-3-propan-2-yloxyanilino)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 100502751
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-[2-(3-methoxyphenoxy)ethyl]-4-[(N-methylsulfonyl-3-propan-2-yloxyanilino)methyl]benzamide
CID 100503035
4-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 9180922
N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234
4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288264
N-(3-methylbutyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 9172781

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide (CID 100502728) is N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide is CCc1ccc(OCCNC(=O)CCCN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide?
The InChIKey is DEUNWGHFXSVWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5S/c1-5-20-11-13-22(14-12-20)30-17-15-25-24(27)10-7-16-26(32(4,28)29)21-8-6-9-23(18-21)31-19(2)3/h6,8-9,11-14,18-19H,5,7,10,15-17H2,1-4H3,(H,25,27).
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide?
N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide has a molecular weight of 462.61 g/mol, XLogP of 3.78, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]-4-(N-methylsulfonyl-3-propan-2-yloxyanilino)butanamide is sourced from PubChem (CID 100502728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).