N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide

C17H26N2O4S — CID 113069347

IUPACN-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(C)c1ccccc1N(CCNC(=O)C1CCCO1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-13(2)14-7-4-5-8-15(14)19(24(3,21)22)11-10-18-17(20)16-9-6-12-23-16/h4-5,7-8,13,16H,6,9-12H2,1-3H3,(H,18,20)
InChIKeyTZMGKUCDFMDUKD-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.87
Rot. Bonds7

About N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide

N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide (PubChem CID 113069347) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
PubChem CID113069347
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(C)c1ccccc1N(CCNC(=O)C1CCCO1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-13(2)14-7-4-5-8-15(14)19(24(3,21)22)11-10-18-17(20)16-9-6-12-23-16/h4-5,7-8,13,16H,6,9-12H2,1-3H3,(H,18,20)
InChIKeyTZMGKUCDFMDUKD-UHFFFAOYSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]ethyl]oxolane-2-carboxamide
CID 113072115
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113067555
3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069362
N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide
CID 113065451
4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069361
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 112997084
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059012
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
N-[2-(N-methylsulfonyl-2-morpholin-4-ylanilino)ethyl]cyclobutanecarboxamide
CID 113071421

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide (CID 113069347) is N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide is CC(C)c1ccccc1N(CCNC(=O)C1CCCO1)S(C)(=O)=O.
What is the InChIKey of N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide?
The InChIKey is TZMGKUCDFMDUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13(2)14-7-4-5-8-15(14)19(24(3,21)22)11-10-18-17(20)16-9-6-12-23-16/h4-5,7-8,13,16H,6,9-12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide?
N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113069347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).