N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide

C24H28N4O3S2 — CID 118057726

IUPACN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide
SMILESCc1cc(C)cc(-c2cncc(NC(=O)c3ccc(S(C)(=O)=O)s3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H28N4O3S2/c1-15-10-16(2)12-17(11-15)19-13-26-14-20(23(19)28-8-6-18(25)7-9-28)27-24(29)21-4-5-22(32-21)33(3,30)31/h4-5,10-14,18H,6-9,25H2,1-3H3,(H,27,29)
InChIKeyNXKFDUKYKNQZJH-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.01
Rot. Bonds5

About N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide

N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide (PubChem CID 118057726) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide
PubChem CID118057726
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC NameN-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide
SMILESCc1cc(C)cc(-c2cncc(NC(=O)c3ccc(S(C)(=O)=O)s3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C24H28N4O3S2/c1-15-10-16(2)12-17(11-15)19-13-26-14-20(23(19)28-8-6-18(25)7-9-28)27-24(29)21-4-5-22(32-21)33(3,30)31/h4-5,10-14,18H,6-9,25H2,1-3H3,(H,27,29)
InChIKeyNXKFDUKYKNQZJH-UHFFFAOYSA-N
XLogP4.01
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide (CID 118057726) is N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide is Cc1cc(C)cc(-c2cncc(NC(=O)c3ccc(S(C)(=O)=O)s3)c2N2CCC(N)CC2)c1.
What is the InChIKey of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide?
The InChIKey is NXKFDUKYKNQZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-15-10-16(2)12-17(11-15)19-13-26-14-20(23(19)28-8-6-18(25)7-9-28)27-24(29)21-4-5-22(32-21)33(3,30)31/h4-5,10-14,18H,6-9,25H2,1-3H3,(H,27,29).
What are the key properties of N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide?
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide has a molecular weight of 484.65 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]-5-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 118057726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).