N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide

C20H26N2O4S — CID 15993497

IUPACN,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-21(6-2)20(23)15-22(17-9-7-16(3)8-10-17)27(24,25)19-13-11-18(26-4)12-14-19/h7-14H,5-6,15H2,1-4H3
InChIKeyAIXCMUNOUXBXJD-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.07
Rot. Bonds8

About N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide

N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 15993497) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID15993497
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-21(6-2)20(23)15-22(17-9-7-16(3)8-10-17)27(24,25)19-13-11-18(26-4)12-14-19/h7-14H,5-6,15H2,1-4H3
InChIKeyAIXCMUNOUXBXJD-UHFFFAOYSA-N
XLogP3.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Act-462206
CID 40924317
N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-acetamide
CID 10500886
Hydroxamate 33
CID 10810684
1-Acetyl-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide
CID 9802180
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
CID 24993852
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(4-nitro-benzyl)-amino]-propionamide
CID 23645536
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 1135733

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide (CID 15993497) is N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide is CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is AIXCMUNOUXBXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-21(6-2)20(23)15-22(17-9-7-16(3)8-10-17)27(24,25)19-13-11-18(26-4)12-14-19/h7-14H,5-6,15H2,1-4H3.
What are the key properties of N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 15993497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).