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

C18H19FN4O3S — CID 27649237

IUPAC(2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19FN4O3S/c1-11(2)16(23-27(25,26)15-10-6-3-7-12(15)19)17(24)22-18-20-13-8-4-5-9-14(13)21-18/h3-11,16,23H,1-2H3,(H2,20,21,22,24)/t16-/m0/s1
InChIKeyVAECLTDQCXLOFA-INIZCTEOSA-N
MW390.44 g/mol
LogP2.64
Rot. Bonds6

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

(2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 27649237) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is (2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID27649237
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name(2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19FN4O3S/c1-11(2)16(23-27(25,26)15-10-6-3-7-12(15)19)17(24)22-18-20-13-8-4-5-9-14(13)21-18/h3-11,16,23H,1-2H3,(H2,20,21,22,24)/t16-/m0/s1
InChIKeyVAECLTDQCXLOFA-INIZCTEOSA-N
XLogP2.64
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 41081163
(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41078842
N-(1H-benzimidazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 42895522
(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 18128653
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
N-(1H-benzimidazol-2-yl)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-methylbutanamide
CID 53199759
N-[(2R)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51419906
N-[1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 4288880
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 18114734
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of (2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (CID 27649237) is (2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for (2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for (2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of (2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is VAECLTDQCXLOFA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-11(2)16(23-27(25,26)15-10-6-3-7-12(15)19)17(24)22-18-20-13-8-4-5-9-14(13)21-18/h3-11,16,23H,1-2H3,(H2,20,21,22,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
(2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 390.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-benzimidazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 27649237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).