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

C15H25N3O3S — CID 113071325

IUPACN-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide
SMILESCCN(CC)c1ccc(N(CCNC(C)=O)S(C)(=O)=O)cc1
InChIInChI=1S/C15H25N3O3S/c1-5-17(6-2)14-7-9-15(10-8-14)18(22(4,20)21)12-11-16-13(3)19/h7-10H,5-6,11-12H2,1-4H3,(H,16,19)
InChIKeyAKTFEXAKWVRNPC-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.43
Rot. Bonds8

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

N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide (PubChem CID 113071325) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide
PubChem CID113071325
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide
SMILESCCN(CC)c1ccc(N(CCNC(C)=O)S(C)(=O)=O)cc1
InChIInChI=1S/C15H25N3O3S/c1-5-17(6-2)14-7-9-15(10-8-14)18(22(4,20)21)12-11-16-13(3)19/h7-10H,5-6,11-12H2,1-4H3,(H,16,19)
InChIKeyAKTFEXAKWVRNPC-UHFFFAOYSA-N
XLogP1.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.43
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-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113071916
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide
CID 113071915
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070248
N-(2-acetamidoethyl)-4-(diethylamino)benzamide
CID 2481626
ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113068739
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069223
N-[2-(4-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070321
N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113071113
1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068475
N-[2-(2-bromo-N-methylsulfonylanilino)ethyl]acetamide
CID 113071538
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide?
The IUPAC name of N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide (CID 113071325) is N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide is CCN(CC)c1ccc(N(CCNC(C)=O)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide?
The InChIKey is AKTFEXAKWVRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-17(6-2)14-7-9-15(10-8-14)18(22(4,20)21)12-11-16-13(3)19/h7-10H,5-6,11-12H2,1-4H3,(H,16,19).
What are the key properties of N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide?
N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide has a molecular weight of 327.45 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide is sourced from PubChem (CID 113071325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).