N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide

C20H27N3O3S — CID 113156230

IUPACN-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-22(5-2)18-11-13-19(14-12-18)23(27(3,25)26)16-20(24)21-15-17-9-7-6-8-10-17/h6-14H,4-5,15-16H2,1-3H3,(H,21,24)
InChIKeyFVPXNLCMGGKNQI-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.62
Rot. Bonds9

About N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide

N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide (PubChem CID 113156230) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
PubChem CID113156230
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-22(5-2)18-11-13-19(14-12-18)23(27(3,25)26)16-20(24)21-15-17-9-7-6-8-10-17/h6-14H,4-5,15-16H2,1-3H3,(H,21,24)
InChIKeyFVPXNLCMGGKNQI-UHFFFAOYSA-N
XLogP2.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
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-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide
CID 113157361
N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156273
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1318473
N-cyclopropyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156212
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113155611
2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113155803
N-benzyl-2-(diethylamino)acetamide
CID 969777

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide?
The IUPAC name of N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide (CID 113156230) is N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide?
The canonical SMILES for N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide is CCN(CC)c1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide?
The InChIKey is FVPXNLCMGGKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-22(5-2)18-11-13-19(14-12-18)23(27(3,25)26)16-20(24)21-15-17-9-7-6-8-10-17/h6-14H,4-5,15-16H2,1-3H3,(H,21,24).
What are the key properties of N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide?
N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide is sourced from PubChem (CID 113156230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).