N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C26H25N3O4S3 — CID 25187968

IUPACN-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2csc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)c5cccs5)CC4)cc3)n2)c1
InChIInChI=1S/C26H25N3O4S3/c1-33-22-5-2-4-20(16-22)23-17-35-26(28-23)19-7-9-21(10-8-19)27-25(30)18-11-13-29(14-12-18)36(31,32)24-6-3-15-34-24/h2-10,15-18H,11-14H2,1H3,(H,27,30)
InChIKeyDZRVDGNBLXNIGK-UHFFFAOYSA-N
MW539.70 g/mol
LogP5.59
Rot. Bonds7

About N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 25187968) has the molecular formula C26H25N3O4S3 and a molecular weight of 539.70 g/mol. Its IUPAC name is N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID25187968
Molecular FormulaC26H25N3O4S3
Molecular Weight539.70 g/mol
Exact Mass539.10
IUPAC NameN-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2csc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)c5cccs5)CC4)cc3)n2)c1
InChIInChI=1S/C26H25N3O4S3/c1-33-22-5-2-4-20(16-22)23-17-35-26(28-23)19-7-9-21(10-8-19)27-25(30)18-11-13-29(14-12-18)36(31,32)24-6-3-15-34-24/h2-10,15-18H,11-14H2,1H3,(H,27,30)
InChIKeyDZRVDGNBLXNIGK-UHFFFAOYSA-N
XLogP5.59
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.70
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-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-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 25187968) is N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is COc1cccc(-c2csc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)c5cccs5)CC4)cc3)n2)c1.
What is the InChIKey of N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is DZRVDGNBLXNIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S3/c1-33-22-5-2-4-20(16-22)23-17-35-26(28-23)19-7-9-21(10-8-19)27-25(30)18-11-13-29(14-12-18)36(31,32)24-6-3-15-34-24/h2-10,15-18H,11-14H2,1H3,(H,27,30).
What are the key properties of N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 539.70 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25187968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).