4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide

C19H27N3O3S2 — CID 55962294

IUPAC4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2c(-n3cccc3)sc(C)c2C)CC1
InChIInChI=1S/C19H27N3O3S2/c1-4-13-27(24,25)22-11-7-16(8-12-22)20-18(23)17-14(2)15(3)26-19(17)21-9-5-6-10-21/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H,20,23)
InChIKeyOXGCLYLXEFVOQC-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.09
Rot. Bonds6

About 4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide

4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide (PubChem CID 55962294) has the molecular formula C19H27N3O3S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide
PubChem CID55962294
Molecular FormulaC19H27N3O3S2
Molecular Weight409.58 g/mol
Exact Mass409.15
IUPAC Name4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2c(-n3cccc3)sc(C)c2C)CC1
InChIInChI=1S/C19H27N3O3S2/c1-4-13-27(24,25)22-11-7-16(8-12-22)20-18(23)17-14(2)15(3)26-19(17)21-9-5-6-10-21/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H,20,23)
InChIKeyOXGCLYLXEFVOQC-UHFFFAOYSA-N
XLogP3.09
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 43048479
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46464711
2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62789252
2-methoxyethyl 2,4-dimethyl-5-[(1-propylsulfonylpiperidin-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 55722013
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
1-(4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 55819489
6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610864
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
CID 46480197

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide (CID 55962294) is 4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)c2c(-n3cccc3)sc(C)c2C)CC1.
What is the InChIKey of 4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide?
The InChIKey is OXGCLYLXEFVOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S2/c1-4-13-27(24,25)22-11-7-16(8-12-22)20-18(23)17-14(2)15(3)26-19(17)21-9-5-6-10-21/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H,20,23).
What are the key properties of 4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide?
4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 55962294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).