(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide

C19H26N2O4S — CID 110349260

IUPAC(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C19H26N2O4S/c1-15(2)18(19(22)20-14-17-11-6-12-25-17)21-26(23,24)13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,15,18,21H,7,10,13-14H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyYQPFAGWLDJYXGK-SFHVURJKSA-N
MW378.49 g/mol
LogP2.47
Rot. Bonds10

About (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide

(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide (PubChem CID 110349260) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide
PubChem CID110349260
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C19H26N2O4S/c1-15(2)18(19(22)20-14-17-11-6-12-25-17)21-26(23,24)13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,15,18,21H,7,10,13-14H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyYQPFAGWLDJYXGK-SFHVURJKSA-N
XLogP2.47
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(furan-2-ylmethyl)-2-(3-phenylpropylsulfonylamino)propanamide
CID 110348376
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide
CID 110349251
(2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 110349256
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102
(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide
CID 110348925
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 110349246
2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 133148522
2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide
CID 42703820
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide (CID 110349260) is (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide is CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide?
The InChIKey is YQPFAGWLDJYXGK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-15(2)18(19(22)20-14-17-11-6-12-25-17)21-26(23,24)13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,15,18,21H,7,10,13-14H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide?
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide has a molecular weight of 378.49 g/mol, XLogP of 2.47, 10 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)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide is sourced from PubChem (CID 110349260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).