N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide

C20H18ClN3O3S2 — CID 55488992

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C20H18ClN3O3S2/c1-12-2-9-16(29(26,27)24-15-7-8-15)10-17(12)19(25)23-20-22-18(11-28-20)13-3-5-14(21)6-4-13/h2-6,9-11,15,24H,7-8H2,1H3,(H,22,23,25)
InChIKeyUHLJEVBWBGORRU-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.46
Rot. Bonds6

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide (PubChem CID 55488992) has the molecular formula C20H18ClN3O3S2 and a molecular weight of 447.97 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
PubChem CID55488992
Molecular FormulaC20H18ClN3O3S2
Molecular Weight447.97 g/mol
Exact Mass447.05
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C20H18ClN3O3S2/c1-12-2-9-16(29(26,27)24-15-7-8-15)10-17(12)19(25)23-20-22-18(11-28-20)13-3-5-14(21)6-4-13/h2-6,9-11,15,24H,7-8H2,1H3,(H,22,23,25)
InChIKeyUHLJEVBWBGORRU-UHFFFAOYSA-N
XLogP4.46
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 78831657
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55490059
5-(cyclopropylsulfamoyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 35804827
2-methyl-5-(methylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 99169834
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
4-(cyclopropylsulfamoyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41189388
5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 86933140
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 24568671

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide (CID 55488992) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
The InChIKey is UHLJEVBWBGORRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S2/c1-12-2-9-16(29(26,27)24-15-7-8-15)10-17(12)19(25)23-20-22-18(11-28-20)13-3-5-14(21)6-4-13/h2-6,9-11,15,24H,7-8H2,1H3,(H,22,23,25).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide has a molecular weight of 447.97 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 55488992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).