3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

C20H25N3O5S3 — CID 55464525

IUPAC3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O5S3/c24-20(19-18(10-15-29-19)31(27,28)23-11-2-1-3-12-23)21-16-6-8-17(9-7-16)30(25,26)22-13-4-5-14-22/h6-10,15H,1-5,11-14H2,(H,21,24)
InChIKeyBLSAPVHHYGVPGW-UHFFFAOYSA-N
MW483.64 g/mol
LogP2.96
Rot. Bonds6

About 3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide

3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 55464525) has the molecular formula C20H25N3O5S3 and a molecular weight of 483.64 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID55464525
Molecular FormulaC20H25N3O5S3
Molecular Weight483.64 g/mol
Exact Mass483.10
IUPAC Name3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O5S3/c24-20(19-18(10-15-29-19)31(27,28)23-11-2-1-3-12-23)21-16-6-8-17(9-7-16)30(25,26)22-13-4-5-14-22/h6-10,15H,1-5,11-14H2,(H,21,24)
InChIKeyBLSAPVHHYGVPGW-UHFFFAOYSA-N
XLogP2.96
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55523013
methyl N-[4-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 55804603
N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55614476
N-(4-cyclopentylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 37400093
3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 18275492
N-(6-methoxy-3-pyridinyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665715
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55714996
N-(4-ethylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60593967
N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665731
N-(2-methyl-1,3-benzoxazol-6-yl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 86923795

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide (CID 55464525) is 3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is BLSAPVHHYGVPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S3/c24-20(19-18(10-15-29-19)31(27,28)23-11-2-1-3-12-23)21-16-6-8-17(9-7-16)30(25,26)22-13-4-5-14-22/h6-10,15H,1-5,11-14H2,(H,21,24).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide?
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 483.64 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 55464525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).