N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide

C20H27N3O3S — CID 113001706

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C20H27N3O3S/c1-5-23(6-2)17-11-12-18(16(4)13-17)22-20(24)14-21-27(25,26)19-10-8-7-9-15(19)3/h7-13,21H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyIQRXWSINRJSQDY-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.07
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide (PubChem CID 113001706) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide
PubChem CID113001706
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C20H27N3O3S/c1-5-23(6-2)17-11-12-18(16(4)13-17)22-20(24)14-21-27(25,26)19-10-8-7-9-15(19)3/h7-13,21H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyIQRXWSINRJSQDY-UHFFFAOYSA-N
XLogP3.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995651
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112998153
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide
CID 56603939
N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide
CID 56603891
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996080
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
CID 108997613
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide (CID 113001706) is N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide is CCN(CC)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2C)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide?
The InChIKey is IQRXWSINRJSQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-5-23(6-2)17-11-12-18(16(4)13-17)22-20(24)14-21-27(25,26)19-10-8-7-9-15(19)3/h7-13,21H,5-6,14H2,1-4H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide has a molecular weight of 389.52 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 113001706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).