(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide

C19H25FN2O4S — CID 18162418

IUPAC(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
SMILESCC(CCc1ccco1)NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C19H25FN2O4S/c1-13(2)18(22-27(24,25)17-9-5-4-8-16(17)20)19(23)21-14(3)10-11-15-7-6-12-26-15/h4-9,12-14,18,22H,10-11H2,1-3H3,(H,21,23)/t14?,18-/m0/s1
InChIKeyYWDSIDYPBWOMJB-IBYPIGCZSA-N
MW396.48 g/mol
LogP2.86
Rot. Bonds9

About (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide (PubChem CID 18162418) has the molecular formula C19H25FN2O4S and a molecular weight of 396.48 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
PubChem CID18162418
Molecular FormulaC19H25FN2O4S
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC Name(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
SMILESCC(CCc1ccco1)NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C19H25FN2O4S/c1-13(2)18(22-27(24,25)17-9-5-4-8-16(17)20)19(23)21-14(3)10-11-15-7-6-12-26-15/h4-9,12-14,18,22H,10-11H2,1-3H3,(H,21,23)/t14?,18-/m0/s1
InChIKeyYWDSIDYPBWOMJB-IBYPIGCZSA-N
XLogP2.86
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide (CID 18162418) is (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide is CC(CCc1ccco1)NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide?
The InChIKey is YWDSIDYPBWOMJB-IBYPIGCZSA-N. The full InChI is InChI=1S/C19H25FN2O4S/c1-13(2)18(22-27(24,25)17-9-5-4-8-16(17)20)19(23)21-14(3)10-11-15-7-6-12-26-15/h4-9,12-14,18,22H,10-11H2,1-3H3,(H,21,23)/t14?,18-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide?
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide has a molecular weight of 396.48 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[4-(furan-2-yl)butan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 18162418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).