2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

C22H29N3O5S — CID 30272515

IUPAC2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCCOc1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H29N3O5S/c1-3-30-21-6-4-5-20(15-21)25(31(2,27)28)17-22(26)23-16-18-7-9-19(10-8-18)24-11-13-29-14-12-24/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,23,26)
InChIKeyWYEMKJQEWLJWGC-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.00
Rot. Bonds9

About 2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 30272515) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID30272515
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCCOc1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H29N3O5S/c1-3-30-21-6-4-5-20(15-21)25(31(2,27)28)17-22(26)23-16-18-7-9-19(10-8-18)24-11-13-29-14-12-24/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,23,26)
InChIKeyWYEMKJQEWLJWGC-UHFFFAOYSA-N
XLogP2.00
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30273764
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 46770314
2-(3-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 30262151
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272477
N-(2,6-dimethylphenyl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30258396
N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156273
N-benzyl-2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 30267975
2-(4-ethoxy-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767593
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30266562
2-(3-ethoxy-N-methylsulfonylanilino)-N-[3-(3-methylphenyl)propyl]acetamide
CID 30271635
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272473

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 30272515) is 2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is CCOc1cccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is WYEMKJQEWLJWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-3-30-21-6-4-5-20(15-21)25(31(2,27)28)17-22(26)23-16-18-7-9-19(10-8-18)24-11-13-29-14-12-24/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,23,26).
What are the key properties of 2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 447.56 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 30272515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).