N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide

C21H19ClN2O3S2 — CID 58610007

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)CC2)cc1
InChIInChI=1S/C21H19ClN2O3S2/c1-29(26,27)17-8-6-15(7-9-17)21(10-11-21)19(25)24-20-23-13-16(28-20)12-14-4-2-3-5-18(14)22/h2-9,13H,10-12H2,1H3,(H,23,24,25)
InChIKeyDKWNITXEOYSUMS-UHFFFAOYSA-N
MW446.98 g/mol
LogP4.46
Rot. Bonds6

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 58610007) has the molecular formula C21H19ClN2O3S2 and a molecular weight of 446.98 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID58610007
Molecular FormulaC21H19ClN2O3S2
Molecular Weight446.98 g/mol
Exact Mass446.05
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)CC2)cc1
InChIInChI=1S/C21H19ClN2O3S2/c1-29(26,27)17-8-6-15(7-9-17)21(10-11-21)19(25)24-20-23-13-16(28-20)12-14-4-2-3-5-18(14)22/h2-9,13H,10-12H2,1H3,(H,23,24,25)
InChIKeyDKWNITXEOYSUMS-UHFFFAOYSA-N
XLogP4.46
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 11604668
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 11581668
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 11683549
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 46510170
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 3624055
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 35955297
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 35804874
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 7177750
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(diethylamino)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide (CID 58610007) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide is CS(=O)(=O)c1ccc(C2(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)CC2)cc1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is DKWNITXEOYSUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S2/c1-29(26,27)17-8-6-15(7-9-17)21(10-11-21)19(25)24-20-23-13-16(28-20)12-14-4-2-3-5-18(14)22/h2-9,13H,10-12H2,1H3,(H,23,24,25).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 446.98 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 58610007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).