N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

C15H16N2O3S2 — CID 795488

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
InChIInChI=1S/C15H16N2O3S2/c18-15(14-4-3-11-21-14)16-12-5-7-13(8-6-12)22(19,20)17-9-1-2-10-17/h3-8,11H,1-2,9-10H2,(H,16,18)
InChIKeyXBLXKMYSXADTTG-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.78
Rot. Bonds4

About N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 795488) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID795488
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
InChIInChI=1S/C15H16N2O3S2/c18-15(14-4-3-11-21-14)16-12-5-7-13(8-6-12)22(19,20)17-9-1-2-10-17/h3-8,11H,1-2,9-10H2,(H,16,18)
InChIKeyXBLXKMYSXADTTG-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (CID 795488) is N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is XBLXKMYSXADTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c18-15(14-4-3-11-21-14)16-12-5-7-13(8-6-12)22(19,20)17-9-1-2-10-17/h3-8,11H,1-2,9-10H2,(H,16,18).
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 795488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).