N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

C15H17FN2O3S2 — CID 20965305

IUPACN-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3S2/c1-10(2)14(18-23(20,21)13-4-3-9-22-13)15(19)17-12-7-5-11(16)6-8-12/h3-10,14,18H,1-2H3,(H,17,19)
InChIKeyHQEHNVRMFCLKFU-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.83
Rot. Bonds6

About N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 20965305) has the molecular formula C15H17FN2O3S2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID20965305
Molecular FormulaC15H17FN2O3S2
Molecular Weight356.44 g/mol
Exact Mass356.07
IUPAC NameN-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3S2/c1-10(2)14(18-23(20,21)13-4-3-9-22-13)15(19)17-12-7-5-11(16)6-8-12/h3-10,14,18H,1-2H3,(H,17,19)
InChIKeyHQEHNVRMFCLKFU-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-fluoro-4-methylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 40644975
(2S)-3-methyl-N-(4-phenylmethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41228343
N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999915
[(2S)-1-anilino-1-oxopropan-2-yl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 7977405
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41078842
N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999909
(2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 30462247
N-cyclooctyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965302
(2R)-3-methyl-N-(3-propan-2-yloxypropyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111125

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 20965305) is N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is HQEHNVRMFCLKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S2/c1-10(2)14(18-23(20,21)13-4-3-9-22-13)15(19)17-12-7-5-11(16)6-8-12/h3-10,14,18H,1-2H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 356.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 20965305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).