3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide

C18H18ClN3O5S2 — CID 70248457

IUPAC3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide
SMILESCCc1cc(OC)ccc1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C18H18ClN3O5S2/c1-4-11-9-12(26-3)5-6-13(11)20-17(23)16-14(7-8-28-16)29(24,25)22-18-15(19)10(2)21-27-18/h5-9,22H,4H2,1-3H3,(H,20,23)
InChIKeyPEEPATRROJSDRO-UHFFFAOYSA-N
MW455.95 g/mol
LogP4.32
Rot. Bonds7

About 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 70248457) has the molecular formula C18H18ClN3O5S2 and a molecular weight of 455.95 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID70248457
Molecular FormulaC18H18ClN3O5S2
Molecular Weight455.95 g/mol
Exact Mass455.04
IUPAC Name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide
SMILESCCc1cc(OC)ccc1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
InChIInChI=1S/C18H18ClN3O5S2/c1-4-11-9-12(26-3)5-6-13(11)20-17(23)16-14(7-8-28-16)29(24,25)22-18-15(19)10(2)21-27-18/h5-9,22H,4H2,1-3H3,(H,20,23)
InChIKeyPEEPATRROJSDRO-UHFFFAOYSA-N
XLogP4.32
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 10226215
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide
CID 10186213
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 70060324
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-ethyl-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 70248458
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2-hydroxyethyl)-4,6-dimethylphenyl]thiophene-2-carboxamide
CID 10140054
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4-dimethyl-6-propylsulfonylphenyl)thiophene-2-carboxamide
CID 10119327
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(7-cyano-6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 174373360
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(3,4,5-trimethoxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 174394504
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-cyano-2,3-dimethoxyphenyl)thiophene-2-carboxamide
CID 10227825
sodium 3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenolate
CID 23688225
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(2,3,4-trimethoxy-6-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 18009303
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide
CID 10119656

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide (CID 70248457) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide is CCc1cc(OC)ccc1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl.
What is the InChIKey of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is PEEPATRROJSDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O5S2/c1-4-11-9-12(26-3)5-6-13(11)20-17(23)16-14(7-8-28-16)29(24,25)22-18-15(19)10(2)21-27-18/h5-9,22H,4H2,1-3H3,(H,20,23).
What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide?
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 455.95 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 70248457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).