N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide

C21H21N3O6S2 — CID 55547898

IUPACN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C21H21N3O6S2/c1-30-18-8-7-16(32(28,29)23-15-5-6-15)10-17(18)22-20(26)14-4-2-3-13(9-14)11-24-19(25)12-31-21(24)27/h2-4,7-10,15,23H,5-6,11-12H2,1H3,(H,22,26)
InChIKeyIVNQSWDWJBFFSE-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.58
Rot. Bonds8

About N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide (PubChem CID 55547898) has the molecular formula C21H21N3O6S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
PubChem CID55547898
Molecular FormulaC21H21N3O6S2
Molecular Weight475.55 g/mol
Exact Mass475.09
IUPAC NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C21H21N3O6S2/c1-30-18-8-7-16(32(28,29)23-15-5-6-15)10-17(18)22-20(26)14-4-2-3-13(9-14)11-24-19(25)12-31-21(24)27/h2-4,7-10,15,23H,5-6,11-12H2,1H3,(H,22,26)
InChIKeyIVNQSWDWJBFFSE-UHFFFAOYSA-N
XLogP2.58
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 36806818
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(dimethylamino)benzamide
CID 33159367
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574013
N-(4-cyclopentylsulfonylphenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 55611099
N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 49182841
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 55811694
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
4-(cyclopropylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 24643912
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
N-(2-chloro-4-fluorophenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 55542286
3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide
CID 22109314

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide (CID 55547898) is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide.
What is the SMILES notation for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The canonical SMILES for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1.
What is the InChIKey of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The InChIKey is IVNQSWDWJBFFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S2/c1-30-18-8-7-16(32(28,29)23-15-5-6-15)10-17(18)22-20(26)14-4-2-3-13(9-14)11-24-19(25)12-31-21(24)27/h2-4,7-10,15,23H,5-6,11-12H2,1H3,(H,22,26).
What are the key properties of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 55547898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).