2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C21H20ClN3O4S2 — CID 2673164

IUPAC2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESC=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C21H20ClN3O4S2/c1-4-11-25(18-7-5-6-8-19(18)29-3)31(27,28)15-9-10-17(22)16(12-15)20(26)24-21-23-13-14(2)30-21/h4-10,12-13H,1,11H2,2-3H3,(H,23,24,26)
InChIKeyCVOUSCBVCMXPAC-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.75
Rot. Bonds8

About 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide

2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2673164) has the molecular formula C21H20ClN3O4S2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2673164
Molecular FormulaC21H20ClN3O4S2
Molecular Weight478.00 g/mol
Exact Mass477.06
IUPAC Name2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESC=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C21H20ClN3O4S2/c1-4-11-25(18-7-5-6-8-19(18)29-3)31(27,28)15-9-10-17(22)16(12-15)20(26)24-21-23-13-14(2)30-21/h4-10,12-13H,1,11H2,2-3H3,(H,23,24,26)
InChIKeyCVOUSCBVCMXPAC-UHFFFAOYSA-N
XLogP4.75
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2711528
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
2-chloro-N-(furan-3-ylmethyl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 55838273
N-(3-butoxypropyl)-2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 46799052
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 55456823
(3,3-dimethyl-2-oxobutyl) 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
CID 42977798
[2-(butan-2-ylamino)-2-oxoethyl] 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
CID 42978970
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 4850525
4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 4851066
[2-(2-cyanoethylamino)-2-oxoethyl] 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
CID 42984668
3-chloro-N-(2-chlorophenyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100510758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 2673164) is 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide is C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(C)s2)c1.
What is the InChIKey of 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CVOUSCBVCMXPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S2/c1-4-11-25(18-7-5-6-8-19(18)29-3)31(27,28)15-9-10-17(22)16(12-15)20(26)24-21-23-13-14(2)30-21/h4-10,12-13H,1,11H2,2-3H3,(H,23,24,26).
What are the key properties of 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 478.00 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2673164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).