N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide

C21H28N2O4S — CID 108573042

IUPACN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCCOc2ccccc2C)c(C)c1
InChIInChI=1S/C21H28N2O4S/c1-16-10-11-20(18(3)15-16)28(25,26)23-13-12-22-21(24)9-6-14-27-19-8-5-4-7-17(19)2/h4-5,7-8,10-11,15,23H,6,9,12-14H2,1-3H3,(H,22,24)
InChIKeyDKBCVTNSQNECRG-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.87
Rot. Bonds10

About N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide (PubChem CID 108573042) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
PubChem CID108573042
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCCOc2ccccc2C)c(C)c1
InChIInChI=1S/C21H28N2O4S/c1-16-10-11-20(18(3)15-16)28(25,26)23-13-12-22-21(24)9-6-14-27-19-8-5-4-7-17(19)2/h4-5,7-8,10-11,15,23H,6,9,12-14H2,1-3H3,(H,22,24)
InChIKeyDKBCVTNSQNECRG-UHFFFAOYSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide
CID 108573067
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55869727
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108572101
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113100959
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide
CID 108573003
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55349463
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide (CID 108573042) is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CCCOc2ccccc2C)c(C)c1.
What is the InChIKey of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide?
The InChIKey is DKBCVTNSQNECRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-16-10-11-20(18(3)15-16)28(25,26)23-13-12-22-21(24)9-6-14-27-19-8-5-4-7-17(19)2/h4-5,7-8,10-11,15,23H,6,9,12-14H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide?
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide has a molecular weight of 404.53 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 108573042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).