N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide

C18H22N2O5S — CID 1102371

IUPACN-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-4-25-17-9-5-14(6-10-17)19-18(21)13-20(26(3,22)23)15-7-11-16(24-2)12-8-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyWYWATJNJJOMPKD-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.50
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide

N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1102371) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID1102371
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-4-25-17-9-5-14(6-10-17)19-18(21)13-20(26(3,22)23)15-7-11-16(24-2)12-8-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyWYWATJNJJOMPKD-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Diamfenetide
CID 37384
N-(4-Phenoxyphenyl)acetamide
CID 80579
N-[4-(benzyloxy)phenyl]glycinamide
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(4-Methoxyphenyl)-[2-(p-anisidino)ethyl]amine
CID 1809552
Propetamide
CID 68937
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
Acetamide, N-(4-butoxyphenyl)-
CID 90165
Ucm 765
CID 24749950
(S)-N-hydroxy-2-(phenylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24806175
(S)-N-hydroxy-2-(isopropylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24956229
2-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108138
N,N'-[ethane-1,2-diylbis(oxybenzene-4,1-diyl)]diacetamide
CID 1809594

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide (CID 1102371) is N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide is CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is WYWATJNJJOMPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-4-25-17-9-5-14(6-10-17)19-18(21)13-20(26(3,22)23)15-7-11-16(24-2)12-8-15/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1102371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).