5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

C19H25N3O5S3 — CID 27285599

IUPAC5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C19H25N3O5S3/c1-29(24,25)20-11-10-16-8-9-18(28-16)19(23)21-15-6-5-7-17(14-15)30(26,27)22-12-3-2-4-13-22/h5-9,14,20H,2-4,10-13H2,1H3,(H,21,23)
InChIKeyHGFJYJJMVIBJGS-UHFFFAOYSA-N
MW471.63 g/mol
LogP2.27
Rot. Bonds8

About 5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 27285599) has the molecular formula C19H25N3O5S3 and a molecular weight of 471.63 g/mol. Its IUPAC name is 5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID27285599
Molecular FormulaC19H25N3O5S3
Molecular Weight471.63 g/mol
Exact Mass471.10
IUPAC Name5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C19H25N3O5S3/c1-29(24,25)20-11-10-16-8-9-18(28-16)19(23)21-15-6-5-7-17(14-15)30(26,27)22-12-3-2-4-13-22/h5-9,14,20H,2-4,10-13H2,1H3,(H,21,23)
InChIKeyHGFJYJJMVIBJGS-UHFFFAOYSA-N
XLogP2.27
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-2-carboxamide
CID 36843795
5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 4791478
4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 9414960
N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7926236
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
5-methyl-4-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55575767
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 46700188
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide
CID 30275091
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
1-butyl-3-(3-piperidin-1-ylsulfonylphenyl)urea
CID 134062778

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (CID 27285599) is 5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is CS(=O)(=O)NCCc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)s1.
What is the InChIKey of 5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is HGFJYJJMVIBJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S3/c1-29(24,25)20-11-10-16-8-9-18(28-16)19(23)21-15-6-5-7-17(14-15)30(26,27)22-12-3-2-4-13-22/h5-9,14,20H,2-4,10-13H2,1H3,(H,21,23).
What are the key properties of 5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 471.63 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 27285599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).