N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide

C20H25N3O5S — CID 8689778

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H25N3O5S/c1-22(17-6-4-3-5-7-17)15-20(24)21-16-8-9-18(27-2)19(14-16)29(25,26)23-10-12-28-13-11-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyYCCHGJYDNCAUSC-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.79
Rot. Bonds7

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide (PubChem CID 8689778) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
PubChem CID8689778
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H25N3O5S/c1-22(17-6-4-3-5-7-17)15-20(24)21-16-8-9-18(27-2)19(14-16)29(25,26)23-10-12-28-13-11-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyYCCHGJYDNCAUSC-UHFFFAOYSA-N
XLogP1.79
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896162
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43897789
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892357
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896028
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4840075
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43893348
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 4965181
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 43895655
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30220381
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide (CID 8689778) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide is COc1ccc(NC(=O)CN(C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide?
The InChIKey is YCCHGJYDNCAUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-22(17-6-4-3-5-7-17)15-20(24)21-16-8-9-18(27-2)19(14-16)29(25,26)23-10-12-28-13-11-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide has a molecular weight of 419.50 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide is sourced from PubChem (CID 8689778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).