2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

C16H19N3O5S2 — CID 146255998

IUPAC2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C16H19N3O5S2/c1-10-8-17-16(25-10)18-15(20)13-7-12(3-4-14(13)23-2)26(21,22)19-11-5-6-24-9-11/h3-4,7-8,11,19H,5-6,9H2,1-2H3,(H,17,18,20)/t11-/m0/s1
InChIKeyCTADMUDICNDXMC-NSHDSACASA-N
MW397.48 g/mol
LogP1.78
Rot. Bonds6

About 2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide

2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (PubChem CID 146255998) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
PubChem CID146255998
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC Name2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C16H19N3O5S2/c1-10-8-17-16(25-10)18-15(20)13-7-12(3-4-14(13)23-2)26(21,22)19-11-5-6-24-9-11/h3-4,7-8,11,19H,5-6,9H2,1-2H3,(H,17,18,20)/t11-/m0/s1
InChIKeyCTADMUDICNDXMC-NSHDSACASA-N
XLogP1.78
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide with MolForge

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Related Compounds

N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
2-methoxy-N-(3-methyl-2-pyridinyl)-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559541
N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237320
N-(3,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559583
N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256157
N-(4-bromophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559539
N-(3-chloro-2-pyridinyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559576
2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
CID 146559528
N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
N-(2-fluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256155
N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256158
N-(2,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237316

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The IUPAC name of 2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide (CID 146255998) is 2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is COc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1C(=O)Nc1ncc(C)s1.
What is the InChIKey of 2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
The InChIKey is CTADMUDICNDXMC-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-10-8-17-16(25-10)18-15(20)13-7-12(3-4-14(13)23-2)26(21,22)19-11-5-6-24-9-11/h3-4,7-8,11,19H,5-6,9H2,1-2H3,(H,17,18,20)/t11-/m0/s1.
What are the key properties of 2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide?
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 146255998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).