3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide

C17H26N2O4S — CID 113142021

IUPAC3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(N(CCC(=O)NCC2CCCO2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H26N2O4S/c1-13-6-7-16(14(2)11-13)19(24(3,21)22)9-8-17(20)18-12-15-5-4-10-23-15/h6-7,11,15H,4-5,8-10,12H2,1-3H3,(H,18,20)
InChIKeyKDZHVOSYKVTJIS-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.75
Rot. Bonds7

About 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide

3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113142021) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113142021
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(N(CCC(=O)NCC2CCCO2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H26N2O4S/c1-13-6-7-16(14(2)11-13)19(24(3,21)22)9-8-17(20)18-12-15-5-4-10-23-15/h6-7,11,15H,4-5,8-10,12H2,1-3H3,(H,18,20)
InChIKeyKDZHVOSYKVTJIS-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
CID 113147062
3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113144466
4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 40742865
3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113146467
3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113147211
N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142007
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113145283
2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167863
2-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1144931
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113155010
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125059758

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide (CID 113142021) is 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc(N(CCC(=O)NCC2CCCO2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is KDZHVOSYKVTJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-6-7-16(14(2)11-13)19(24(3,21)22)9-8-17(20)18-12-15-5-4-10-23-15/h6-7,11,15H,4-5,8-10,12H2,1-3H3,(H,18,20).
What are the key properties of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 354.47 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113142021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).