4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide

C19H21N3O3S2 — CID 9362533

IUPAC4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
SMILESCc1sc(-n2cccc2)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C19H21N3O3S2/c1-13-14(2)26-19(22-11-3-4-12-22)17(13)18(23)21-10-9-15-5-7-16(8-6-15)27(20,24)25/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyKAGPCUMBGCHHNB-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.78
Rot. Bonds6

About 4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide

4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide (PubChem CID 9362533) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
PubChem CID9362533
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
SMILESCc1sc(-n2cccc2)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C19H21N3O3S2/c1-13-14(2)26-19(22-11-3-4-12-22)17(13)18(23)21-10-9-15-5-7-16(8-6-15)27(20,24)25/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyKAGPCUMBGCHHNB-UHFFFAOYSA-N
XLogP2.78
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 27449400
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 24687486
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
4-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 110648736
5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 45493285
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384826
2-hydroxy-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681058
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110696130

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide (CID 9362533) is 4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide is Cc1sc(-n2cccc2)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1C.
What is the InChIKey of 4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is KAGPCUMBGCHHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-13-14(2)26-19(22-11-3-4-12-22)17(13)18(23)21-10-9-15-5-7-16(8-6-15)27(20,24)25/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 9362533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).