N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C20H21N3O5S2 — CID 24673316

IUPACN-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H21N3O5S2/c1-13-21-15(12-29-13)11-28-18-7-5-4-6-16(18)20(24)22-14-8-9-19(27-2)17(10-14)23-30(3,25)26/h4-10,12,23H,11H2,1-3H3,(H,22,24)
InChIKeyHMMIVKZURIGYPP-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.66
Rot. Bonds8

About N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 24673316) has the molecular formula C20H21N3O5S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID24673316
Molecular FormulaC20H21N3O5S2
Molecular Weight447.54 g/mol
Exact Mass447.09
IUPAC NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H21N3O5S2/c1-13-21-15(12-29-13)11-28-18-7-5-4-6-16(18)20(24)22-14-8-9-19(27-2)17(10-14)23-30(3,25)26/h4-10,12,23H,11H2,1-3H3,(H,22,24)
InChIKeyHMMIVKZURIGYPP-UHFFFAOYSA-N
XLogP3.66
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
N-(4-carbamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17497709
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9043710
N-[(2-methoxyphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9404884
2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259434
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide
CID 52788633
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide
CID 24641781
N-(4-ethoxy-3-methoxyphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78816507
ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24599388
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 24673316) is N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is COc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is HMMIVKZURIGYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S2/c1-13-21-15(12-29-13)11-28-18-7-5-4-6-16(18)20(24)22-14-8-9-19(27-2)17(10-14)23-30(3,25)26/h4-10,12,23H,11H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 24673316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).