(2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide

C18H24N2O4S — CID 110349251

IUPAC(2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide
SMILESCc1ccccc1CS(=O)(=O)N[C@H](C(=O)NCc1ccco1)C(C)C
InChIInChI=1S/C18H24N2O4S/c1-13(2)17(18(21)19-11-16-9-6-10-24-16)20-25(22,23)12-15-8-5-4-7-14(15)3/h4-10,13,17,20H,11-12H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyPBOJXNBFKNVXAD-KRWDZBQOSA-N
MW364.47 g/mol
LogP2.35
Rot. Bonds8

About (2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide

(2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide (PubChem CID 110349251) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide
PubChem CID110349251
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name(2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide
SMILESCc1ccccc1CS(=O)(=O)N[C@H](C(=O)NCc1ccco1)C(C)C
InChIInChI=1S/C18H24N2O4S/c1-13(2)17(18(21)19-11-16-9-6-10-24-16)20-25(22,23)12-15-8-5-4-7-14(15)3/h4-10,13,17,20H,11-12H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyPBOJXNBFKNVXAD-KRWDZBQOSA-N
XLogP2.35
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 110349256
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide
CID 110349260
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 110349246
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-1-(2-methylphenyl)methanesulfonamide
CID 110349138
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 18114734
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
2-[(2-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 22299375

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide (CID 110349251) is (2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide is Cc1ccccc1CS(=O)(=O)N[C@H](C(=O)NCc1ccco1)C(C)C.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide?
The InChIKey is PBOJXNBFKNVXAD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-13(2)17(18(21)19-11-16-9-6-10-24-16)20-25(22,23)12-15-8-5-4-7-14(15)3/h4-10,13,17,20H,11-12H2,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide?
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide has a molecular weight of 364.47 g/mol, XLogP of 2.35, 8 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-[(2-methylphenyl)methylsulfonylamino]butanamide is sourced from PubChem (CID 110349251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).