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

C15H20F2N2O4S — CID 113147211

IUPAC3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCC1CCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O4S/c1-24(21,22)19(11-4-5-13(16)14(17)9-11)7-6-15(20)18-10-12-3-2-8-23-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,20)
InChIKeySPQZXCROHDTTBW-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.42
Rot. Bonds7

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

3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113147211) has the molecular formula C15H20F2N2O4S and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113147211
Molecular FormulaC15H20F2N2O4S
Molecular Weight362.40 g/mol
Exact Mass362.11
IUPAC Name3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCC1CCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O4S/c1-24(21,22)19(11-4-5-13(16)14(17)9-11)7-6-15(20)18-10-12-3-2-8-23-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,20)
InChIKeySPQZXCROHDTTBW-UHFFFAOYSA-N
XLogP1.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7443283
3-(3,4-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113146467
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113145283
N-(oxolan-2-ylmethyl)-3-(2,3,4-trifluoro-N-methylsulfonylanilino)propanamide
CID 113147062
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113142021
4-(3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 40742865
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
4-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125052199
3-(2-methoxy-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113144466
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 113139302
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7367014
2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144142

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide (CID 113147211) is 3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide is CS(=O)(=O)N(CCC(=O)NCC1CCCO1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is SPQZXCROHDTTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4S/c1-24(21,22)19(11-4-5-13(16)14(17)9-11)7-6-15(20)18-10-12-3-2-8-23-12/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,20).
What are the key properties of 3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 362.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113147211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).