2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide

C21H28N2O4S — CID 30170701

IUPAC2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide
SMILESCCc1ccccc1N(CC(=O)NCCCOC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-18-8-5-6-9-20(18)23(16-21(24)22-14-7-15-27-3)28(25,26)19-12-10-17(2)11-13-19/h5-6,8-13H,4,7,14-16H2,1-3H3,(H,22,24)
InChIKeySEHYNVKZTHPNSD-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.91
Rot. Bonds10

About 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide

2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 30170701) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide
PubChem CID30170701
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide
SMILESCCc1ccccc1N(CC(=O)NCCCOC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-18-8-5-6-9-20(18)23(16-21(24)22-14-7-15-27-3)28(25,26)19-12-10-17(2)11-13-19/h5-6,8-13H,4,7,14-16H2,1-3H3,(H,22,24)
InChIKeySEHYNVKZTHPNSD-UHFFFAOYSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126322569
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30199719
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(3-methoxypropyl)acetamide
CID 2968171
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1337255
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058105
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126274254
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126337667
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 51343997
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30210898
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 2897253
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 30170482
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 998364

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide (CID 30170701) is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide is CCc1ccccc1N(CC(=O)NCCCOC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is SEHYNVKZTHPNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-18-8-5-6-9-20(18)23(16-21(24)22-14-7-15-27-3)28(25,26)19-12-10-17(2)11-13-19/h5-6,8-13H,4,7,14-16H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide?
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 30170701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).