(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C17H26N2O4S — CID 124720005

IUPAC(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCc1cc(C)cc(N([C@H](C)C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1
InChIInChI=1S/C17H26N2O4S/c1-12-8-13(2)10-15(9-12)19(24(4,21)22)14(3)17(20)18-11-16-6-5-7-23-16/h8-10,14,16H,5-7,11H2,1-4H3,(H,18,20)/t14-,16-/m1/s1
InChIKeyIHOWUSOITZMLLN-GDBMZVCRSA-N
MW354.47 g/mol
LogP1.75
Rot. Bonds6

About (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 124720005) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID124720005
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCc1cc(C)cc(N([C@H](C)C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1
InChIInChI=1S/C17H26N2O4S/c1-12-8-13(2)10-15(9-12)19(24(4,21)22)14(3)17(20)18-11-16-6-5-7-23-16/h8-10,14,16H,5-7,11H2,1-4H3,(H,18,20)/t14-,16-/m1/s1
InChIKeyIHOWUSOITZMLLN-GDBMZVCRSA-N
XLogP1.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7473261
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8991497
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8991586
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 43834723
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126384845
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
(2R)-2-(N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 51711069
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
2-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1144931
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 40742865
2-[[(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 124812011

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 124720005) is (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is Cc1cc(C)cc(N([C@H](C)C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is IHOWUSOITZMLLN-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-12-8-13(2)10-15(9-12)19(24(4,21)22)14(3)17(20)18-11-16-6-5-7-23-16/h8-10,14,16H,5-7,11H2,1-4H3,(H,18,20)/t14-,16-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 354.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 124720005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).