N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide

C22H23N3O5S2 — CID 55623938

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)sc2C)cc1
InChIInChI=1S/C22H23N3O5S2/c1-15-20(16-7-9-17(29-2)10-8-16)23-22(31-15)24-21(26)18-5-3-4-6-19(18)32(27,28)25-11-13-30-14-12-25/h3-10H,11-14H2,1-2H3,(H,23,24,26)
InChIKeyKEXCVNJVRJIRFE-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.40
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 55623938) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide
PubChem CID55623938
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)sc2C)cc1
InChIInChI=1S/C22H23N3O5S2/c1-15-20(16-7-9-17(29-2)10-8-16)23-22(31-15)24-21(26)18-5-3-4-6-19(18)32(27,28)25-11-13-30-14-12-25/h3-10H,11-14H2,1-2H3,(H,23,24,26)
InChIKeyKEXCVNJVRJIRFE-UHFFFAOYSA-N
XLogP3.40
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
CID 26291689
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-4-ylsulfonylbenzamide
CID 31976551
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623393
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 4067266
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 174636232
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 28543180
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide (CID 55623938) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide is COc1ccc(-c2nc(NC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KEXCVNJVRJIRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-15-20(16-7-9-17(29-2)10-8-16)23-22(31-15)24-21(26)18-5-3-4-6-19(18)32(27,28)25-11-13-30-14-12-25/h3-10H,11-14H2,1-2H3,(H,23,24,26).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 473.58 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55623938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).