N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide

C15H18N2O4S2 — CID 99812786

IUPACN-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCOC[C@@H](C)S(=O)(=O)NC(=O)c1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C15H18N2O4S2/c1-10(8-21-3)23(19,20)17-15(18)13-6-4-5-12(7-13)14-9-22-11(2)16-14/h4-7,9-10H,8H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyZXCFIUTXWBEYMP-SNVBAGLBSA-N
MW354.45 g/mol
LogP2.21
Rot. Bonds6

About N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide

N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 99812786) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID99812786
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCOC[C@@H](C)S(=O)(=O)NC(=O)c1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C15H18N2O4S2/c1-10(8-21-3)23(19,20)17-15(18)13-6-4-5-12(7-13)14-9-22-11(2)16-14/h4-7,9-10H,8H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyZXCFIUTXWBEYMP-SNVBAGLBSA-N
XLogP2.21
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
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CID 111471390
3-(2-methylpropoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
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CID 1362516
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CID 120890642
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 99812786) is N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide is COC[C@@H](C)S(=O)(=O)NC(=O)c1cccc(-c2csc(C)n2)c1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is ZXCFIUTXWBEYMP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-10(8-21-3)23(19,20)17-15(18)13-6-4-5-12(7-13)14-9-22-11(2)16-14/h4-7,9-10H,8H2,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 99812786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).