(2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C15H18FN3O3S3 — CID 41103941

IUPAC(2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCSCC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ncc(C)s1
InChIInChI=1S/C15H18FN3O3S3/c1-10-9-17-15(24-10)18-14(20)13(7-8-23-2)19-25(21,22)12-5-3-11(16)4-6-12/h3-6,9,13,19H,7-8H2,1-2H3,(H,17,18,20)/t13-/m1/s1
InChIKeyYBEYMBNMZXPFNC-CYBMUJFWSA-N
MW403.53 g/mol
LogP2.63
Rot. Bonds8

About (2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide

(2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 41103941) has the molecular formula C15H18FN3O3S3 and a molecular weight of 403.53 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID41103941
Molecular FormulaC15H18FN3O3S3
Molecular Weight403.53 g/mol
Exact Mass403.05
IUPAC Name(2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCSCC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ncc(C)s1
InChIInChI=1S/C15H18FN3O3S3/c1-10-9-17-15(24-10)18-14(20)13(7-8-23-2)19-25(21,22)12-5-3-11(16)4-6-12/h3-6,9,13,19H,7-8H2,1-2H3,(H,17,18,20)/t13-/m1/s1
InChIKeyYBEYMBNMZXPFNC-CYBMUJFWSA-N
XLogP2.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide with MolForge

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 71708207
(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
CID 9412291
2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
CID 55331060
2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
CID 4664975
N-(4-fluorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55333970
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46513548
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 55936156
(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 40713383
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528
N-(4-tert-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46651070
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]-4-methylsulfanylbutanamide
CID 43060845
2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 110502529

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of (2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 41103941) is (2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is CSCC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ncc(C)s1.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is YBEYMBNMZXPFNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18FN3O3S3/c1-10-9-17-15(24-10)18-14(20)13(7-8-23-2)19-25(21,22)12-5-3-11(16)4-6-12/h3-6,9,13,19H,7-8H2,1-2H3,(H,17,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
(2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 403.53 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 41103941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).