2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C20H20ClN3O4S2 — CID 16944745

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2sc(NS(=O)(=O)c3ccc(Cl)cc3)nc2C)c1
InChIInChI=1S/C20H20ClN3O4S2/c1-13-18(19(25)22-11-10-14-4-3-5-16(12-14)28-2)29-20(23-13)24-30(26,27)17-8-6-15(21)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOGUPZEZNGUYZND-UHFFFAOYSA-N
MW465.98 g/mol
LogP3.89
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16944745) has the molecular formula C20H20ClN3O4S2 and a molecular weight of 465.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16944745
Molecular FormulaC20H20ClN3O4S2
Molecular Weight465.98 g/mol
Exact Mass465.06
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2sc(NS(=O)(=O)c3ccc(Cl)cc3)nc2C)c1
InChIInChI=1S/C20H20ClN3O4S2/c1-13-18(19(25)22-11-10-14-4-3-5-16(12-14)28-2)29-20(23-13)24-30(26,27)17-8-6-15(21)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOGUPZEZNGUYZND-UHFFFAOYSA-N
XLogP3.89
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944828
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945117
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945056
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16944742
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
CID 16944627
N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944952
N-cycloheptyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944956
5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 47222257
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16839644
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 16944745) is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1cccc(CCNC(=O)c2sc(NS(=O)(=O)c3ccc(Cl)cc3)nc2C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OGUPZEZNGUYZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S2/c1-13-18(19(25)22-11-10-14-4-3-5-16(12-14)28-2)29-20(23-13)24-30(26,27)17-8-6-15(21)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 465.98 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).