2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide

C20H18ClN3O4S2 — CID 55532428

IUPAC2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClN3O4S2/c21-13-4-8-16(9-5-13)28-11-19-23-18(12-29-19)20(25)22-15-2-1-3-17(10-15)30(26,27)24-14-6-7-14/h1-5,8-10,12,14,24H,6-7,11H2,(H,22,25)
InChIKeyDTBKWFJAVRCNFF-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.07
Rot. Bonds8

About 2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide

2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 55532428) has the molecular formula C20H18ClN3O4S2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID55532428
Molecular FormulaC20H18ClN3O4S2
Molecular Weight463.97 g/mol
Exact Mass463.04
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClN3O4S2/c21-13-4-8-16(9-5-13)28-11-19-23-18(12-29-19)20(25)22-15-2-1-3-17(10-15)30(26,27)24-14-6-7-14/h1-5,8-10,12,14,24H,6-7,11H2,(H,22,25)
InChIKeyDTBKWFJAVRCNFF-UHFFFAOYSA-N
XLogP4.07
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-fluorophenoxy)methyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 24671851
methyl 2-[[3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55727980
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46535966
2-[(4-chlorophenoxy)methyl]-N-[(1R,2S)-2-(phenylcarbamoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014783
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411
2-[(4-chlorophenoxy)methyl]-N-[(1R,2S)-2-[(3,4-difluorophenyl)carbamoylamino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014820
N-[(1S,2R)-2-[(3-chloro-4-fluorophenyl)carbamoylamino]cyclohexyl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 98303138
methyl 2-[[3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]phenyl]sulfonylamino]acetate
CID 120623784
1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
N-[(1R,2R)-2-[(4-chlorobenzoyl)amino]cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93014348
2-[(4-chlorophenoxy)methyl]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 55767254
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide
CID 25498819

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 55532428) is 2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DTBKWFJAVRCNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S2/c21-13-4-8-16(9-5-13)28-11-19-23-18(12-29-19)20(25)22-15-2-1-3-17(10-15)30(26,27)24-14-6-7-14/h1-5,8-10,12,14,24H,6-7,11H2,(H,22,25).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55532428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).