N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide

C13H21NO4S — CID 95625353

IUPACN-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
SMILESCCS(=O)(=O)C[C@H](C)N(C)C(=O)CCc1ccco1
InChIInChI=1S/C13H21NO4S/c1-4-19(16,17)10-11(2)14(3)13(15)8-7-12-6-5-9-18-12/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-/m0/s1
InChIKeyTWGVMGWPJRCJGD-NSHDSACASA-N
MW287.38 g/mol
LogP1.49
Rot. Bonds7

About N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide

N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide (PubChem CID 95625353) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
PubChem CID95625353
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
SMILESCCS(=O)(=O)C[C@H](C)N(C)C(=O)CCc1ccco1
InChIInChI=1S/C13H21NO4S/c1-4-19(16,17)10-11(2)14(3)13(15)8-7-12-6-5-9-18-12/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-/m0/s1
InChIKeyTWGVMGWPJRCJGD-NSHDSACASA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-(furan-2-yl)-N-methylpropanamide
CID 63223498
N-ethyl-3-(furan-2-yl)-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 56789024
N-(2-aminopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 63754121
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
N-(2-cyanopropyl)-3-(furan-2-yl)-N-methylpropanamide
CID 55207585
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
3-(furan-2-yl)-N-methyl-N-(4-sulfamoylphenyl)propanamide
CID 61131132
2-[3-(furan-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 55123873
3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79290960
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
4-ethyl-1-(furan-2-yl)hexan-3-one
CID 105117415

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide?
The IUPAC name of N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide (CID 95625353) is N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide?
The canonical SMILES for N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide is CCS(=O)(=O)C[C@H](C)N(C)C(=O)CCc1ccco1.
What is the InChIKey of N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide?
The InChIKey is TWGVMGWPJRCJGD-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO4S/c1-4-19(16,17)10-11(2)14(3)13(15)8-7-12-6-5-9-18-12/h5-6,9,11H,4,7-8,10H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide?
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide has a molecular weight of 287.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 95625353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).