N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide

C24H25ClN2O3S2 — CID 2811064

IUPACN-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide
SMILESCc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H25ClN2O3S2/c1-17-22(32(29,30)21-9-7-19(25)8-10-21)16-31-23(17)24(28)26-20-11-13-27(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,26,28)
InChIKeyNNTFCTBZVUVGPR-UHFFFAOYSA-N
MW489.06 g/mol
LogP4.94
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide (PubChem CID 2811064) has the molecular formula C24H25ClN2O3S2 and a molecular weight of 489.06 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide
PubChem CID2811064
Molecular FormulaC24H25ClN2O3S2
Molecular Weight489.06 g/mol
Exact Mass488.10
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide
SMILESCc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H25ClN2O3S2/c1-17-22(32(29,30)21-9-7-19(25)8-10-21)16-31-23(17)24(28)26-20-11-13-27(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,26,28)
InChIKeyNNTFCTBZVUVGPR-UHFFFAOYSA-N
XLogP4.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.06
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide (CID 2811064) is N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide is Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide?
The InChIKey is NNTFCTBZVUVGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S2/c1-17-22(32(29,30)21-9-7-19(25)8-10-21)16-31-23(17)24(28)26-20-11-13-27(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,26,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide has a molecular weight of 489.06 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2811064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).