(2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide

C17H22N2O4S — CID 110348376

IUPAC(2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide
SMILESC[C@H](NS(=O)(=O)CCCc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C17H22N2O4S/c1-14(17(20)18-13-16-10-5-11-23-16)19-24(21,22)12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,14,19H,6,9,12-13H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyVNGDBQCFDSFVHP-AWEZNQCLSA-N
MW350.44 g/mol
LogP1.84
Rot. Bonds9

About (2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide

(2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide (PubChem CID 110348376) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide
PubChem CID110348376
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name(2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide
SMILESC[C@H](NS(=O)(=O)CCCc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C17H22N2O4S/c1-14(17(20)18-13-16-10-5-11-23-16)19-24(21,22)12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,14,19H,6,9,12-13H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyVNGDBQCFDSFVHP-AWEZNQCLSA-N
XLogP1.84
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide
CID 110349260
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 1093339
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 3262204
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445
(2R)-N-(furan-2-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 93480656
(2R)-N-(furan-2-ylmethyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7476998
(2S)-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 110348354
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide (CID 110348376) is (2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide is C[C@H](NS(=O)(=O)CCCc1ccccc1)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide?
The InChIKey is VNGDBQCFDSFVHP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-14(17(20)18-13-16-10-5-11-23-16)19-24(21,22)12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,14,19H,6,9,12-13H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide?
(2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide has a molecular weight of 350.44 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide is sourced from PubChem (CID 110348376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).