N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

C23H29N3O6S — CID 30273764

IUPACN-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCCOc1cccc(CNC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H29N3O6S/c1-3-32-21-6-4-5-18(15-21)16-24-22(27)17-26(33(2,29)30)20-9-7-19(8-10-20)23(28)25-11-13-31-14-12-25/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,27)
InChIKeyCFXJCNKRKFTPOP-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.64
Rot. Bonds9

About N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 30273764) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID30273764
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCCOc1cccc(CNC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H29N3O6S/c1-3-32-21-6-4-5-18(15-21)16-24-22(27)17-26(33(2,29)30)20-9-7-19(8-10-20)23(28)25-11-13-31-14-12-25/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,27)
InChIKeyCFXJCNKRKFTPOP-UHFFFAOYSA-N
XLogP1.64
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 46770314
2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 30272515
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901047
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide
CID 30257352
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272477
N-[1-(4-ethoxyphenyl)ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900404
N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30266454
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30277058
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30302414
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30273526

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (CID 30273764) is N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is CCOc1cccc(CNC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is CFXJCNKRKFTPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-3-32-21-6-4-5-18(15-21)16-24-22(27)17-26(33(2,29)30)20-9-7-19(8-10-20)23(28)25-11-13-31-14-12-25/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,27).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide has a molecular weight of 475.57 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 30273764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).