2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide

C26H31N3O4S — CID 30227920

IUPAC2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H31N3O4S/c1-4-33-24-14-16-25(17-15-24)34(31,32)29(23-12-10-21(2)11-13-23)20-26(30)27-18-19-28(3)22-8-6-5-7-9-22/h5-17H,4,18-20H2,1-3H3,(H,27,30)
InChIKeyBVWKXJZFKMSBHN-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.84
Rot. Bonds11

About 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide

2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide (PubChem CID 30227920) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
PubChem CID30227920
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H31N3O4S/c1-4-33-24-14-16-25(17-15-24)34(31,32)29(23-12-10-21(2)11-13-23)20-26(30)27-18-19-28(3)22-8-6-5-7-9-22/h5-17H,4,18-20H2,1-3H3,(H,27,30)
InChIKeyBVWKXJZFKMSBHN-UHFFFAOYSA-N
XLogP3.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30228167
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344954
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210908
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133229072
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30214262
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30203542
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30211535
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3737355
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2284779

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide (CID 30227920) is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The InChIKey is BVWKXJZFKMSBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-4-33-24-14-16-25(17-15-24)34(31,32)29(23-12-10-21(2)11-13-23)20-26(30)27-18-19-28(3)22-8-6-5-7-9-22/h5-17H,4,18-20H2,1-3H3,(H,27,30).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide has a molecular weight of 481.62 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide is sourced from PubChem (CID 30227920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).