(2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide

C18H19FN4O3S — CID 18126159

IUPAC(2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nn1cnc2ccccc21
InChIInChI=1S/C18H19FN4O3S/c1-12(2)17(22-27(25,26)16-10-6-3-7-13(16)19)18(24)21-23-11-20-14-8-4-5-9-15(14)23/h3-12,17,22H,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyZXKJGJFMWRKDTP-KRWDZBQOSA-N
MW390.44 g/mol
LogP2.25
Rot. Bonds6

About (2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide

(2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 18126159) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is (2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID18126159
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name(2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nn1cnc2ccccc21
InChIInChI=1S/C18H19FN4O3S/c1-12(2)17(22-27(25,26)16-10-6-3-7-13(16)19)18(24)21-23-11-20-14-8-4-5-9-15(14)23/h3-12,17,22H,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyZXKJGJFMWRKDTP-KRWDZBQOSA-N
XLogP2.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of (2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (CID 18126159) is (2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for (2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for (2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nn1cnc2ccccc21.
What is the InChIKey of (2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is ZXKJGJFMWRKDTP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-12(2)17(22-27(25,26)16-10-6-3-7-13(16)19)18(24)21-23-11-20-14-8-4-5-9-15(14)23/h3-12,17,22H,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
(2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 390.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzimidazol-1-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 18126159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).