N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide

C19H31N3O4S — CID 113072115

IUPACN-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide
SMILESCCN(CC)c1ccc(N(CCNC(=O)C2CCCO2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H31N3O4S/c1-5-21(6-2)16-9-10-17(15(3)14-16)22(27(4,24)25)12-11-20-19(23)18-8-7-13-26-18/h9-10,14,18H,5-8,11-13H2,1-4H3,(H,20,23)
InChIKeyGUTYKXUVZYLAHC-UHFFFAOYSA-N
MW397.54 g/mol
LogP1.90
Rot. Bonds9

About N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide

N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide (PubChem CID 113072115) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide
PubChem CID113072115
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC NameN-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide
SMILESCCN(CC)c1ccc(N(CCNC(=O)C2CCCO2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H31N3O4S/c1-5-21(6-2)16-9-10-17(15(3)14-16)22(27(4,24)25)12-11-20-19(23)18-8-7-13-26-18/h9-10,14,18H,5-8,11-13H2,1-4H3,(H,20,23)
InChIKeyGUTYKXUVZYLAHC-UHFFFAOYSA-N
XLogP1.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 113069347
N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide
CID 113157058
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 113059887
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113142021
2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide
CID 113157055
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113067555
N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113071622
N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide
CID 113065451
N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide
CID 113058185
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059087

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide (CID 113072115) is N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide is CCN(CC)c1ccc(N(CCNC(=O)C2CCCO2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide?
The InChIKey is GUTYKXUVZYLAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-5-21(6-2)16-9-10-17(15(3)14-16)22(27(4,24)25)12-11-20-19(23)18-8-7-13-26-18/h9-10,14,18H,5-8,11-13H2,1-4H3,(H,20,23).
What are the key properties of N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide?
N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113072115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).