(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide

C15H19FN4O3S2 — CID 167327148

IUPAC(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide
SMILESCC[C@H](C(=O)Nc1ncc(Cc2cccc(F)c2)s1)N(C)S(N)(=O)=O
InChIInChI=1S/C15H19FN4O3S2/c1-3-13(20(2)25(17,22)23)14(21)19-15-18-9-12(24-15)8-10-5-4-6-11(16)7-10/h4-7,9,13H,3,8H2,1-2H3,(H2,17,22,23)(H,18,19,21)/t13-/m1/s1
InChIKeyLAOJLTLQPLSGFR-CYBMUJFWSA-N
MW386.47 g/mol
LogP1.73
Rot. Bonds7

About (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide

(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide (PubChem CID 167327148) has the molecular formula C15H19FN4O3S2 and a molecular weight of 386.47 g/mol. Its IUPAC name is (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide
PubChem CID167327148
Molecular FormulaC15H19FN4O3S2
Molecular Weight386.47 g/mol
Exact Mass386.09
IUPAC Name(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide
SMILESCC[C@H](C(=O)Nc1ncc(Cc2cccc(F)c2)s1)N(C)S(N)(=O)=O
InChIInChI=1S/C15H19FN4O3S2/c1-3-13(20(2)25(17,22)23)14(21)19-15-18-9-12(24-15)8-10-5-4-6-11(16)7-10/h4-7,9,13H,3,8H2,1-2H3,(H2,17,22,23)(H,18,19,21)/t13-/m1/s1
InChIKeyLAOJLTLQPLSGFR-CYBMUJFWSA-N
XLogP1.73
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120985647
2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
1-[4-(dimethylamino)phenyl]-3-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methylurea
CID 177198527
(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide
CID 167327033
3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 37266027
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 37265916
3-(dimethylsulfamoyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dimethylbenzamide
CID 39221332
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide
CID 37255354
7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
CID 119719234
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55614121
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
CID 55851836
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015330

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide?
The IUPAC name of (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide (CID 167327148) is (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide.
What is the SMILES notation for (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide?
The canonical SMILES for (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide is CC[C@H](C(=O)Nc1ncc(Cc2cccc(F)c2)s1)N(C)S(N)(=O)=O.
What is the InChIKey of (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide?
The InChIKey is LAOJLTLQPLSGFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19FN4O3S2/c1-3-13(20(2)25(17,22)23)14(21)19-15-18-9-12(24-15)8-10-5-4-6-11(16)7-10/h4-7,9,13H,3,8H2,1-2H3,(H2,17,22,23)(H,18,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide?
(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide has a molecular weight of 386.47 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl(sulfamoyl)amino]butanamide is sourced from PubChem (CID 167327148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).