N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide

C27H32N2O4S — CID 30213285

IUPACN-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
SMILESCc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32N2O4S/c1-20(2)23-9-11-24(12-10-23)29(34(31,32)26-15-7-22(4)8-16-26)19-27(30)28-17-18-33-25-13-5-21(3)6-14-25/h5-16,20H,17-19H2,1-4H3,(H,28,30)
InChIKeyMRRHMQVJUOCQGF-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.82
Rot. Bonds10

About N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide

N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide (PubChem CID 30213285) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
PubChem CID30213285
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
SMILESCc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32N2O4S/c1-20(2)23-9-11-24(12-10-23)29(34(31,32)26-15-7-22(4)8-16-26)19-27(30)28-17-18-33-25-13-5-21(3)6-14-25/h5-16,20H,17-19H2,1-4H3,(H,28,30)
InChIKeyMRRHMQVJUOCQGF-UHFFFAOYSA-N
XLogP4.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.82
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-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30211535
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30214602
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43902340
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30211247
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171602
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30242800
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43902337
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30212134
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide
CID 30170794
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171501
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30210898
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43875282

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide (CID 30213285) is N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide is Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
The InChIKey is MRRHMQVJUOCQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-20(2)23-9-11-24(12-10-23)29(34(31,32)26-15-7-22(4)8-16-26)19-27(30)28-17-18-33-25-13-5-21(3)6-14-25/h5-16,20H,17-19H2,1-4H3,(H,28,30).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide?
N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide has a molecular weight of 480.63 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 30213285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).