N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C25H25N3O3S4 — CID 16826134

IUPACN-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C25H25N3O3S4/c29-23(16-7-5-13-28(15-16)35(30,31)21-12-6-14-32-21)27-25-22(17-8-1-3-10-19(17)33-25)24-26-18-9-2-4-11-20(18)34-24/h2,4,6,9,11-12,14,16H,1,3,5,7-8,10,13,15H2,(H,27,29)
InChIKeyPTJZELSAMDQIKI-UHFFFAOYSA-N
MW543.76 g/mol
LogP6.00
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 16826134) has the molecular formula C25H25N3O3S4 and a molecular weight of 543.76 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID16826134
Molecular FormulaC25H25N3O3S4
Molecular Weight543.76 g/mol
Exact Mass543.08
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C25H25N3O3S4/c29-23(16-7-5-13-28(15-16)35(30,31)21-12-6-14-32-21)27-25-22(17-8-1-3-10-19(17)33-25)24-26-18-9-2-4-11-20(18)34-24/h2,4,6,9,11-12,14,16H,1,3,5,7-8,10,13,15H2,(H,27,29)
InChIKeyPTJZELSAMDQIKI-UHFFFAOYSA-N
XLogP6.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.76
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 44960416
N-[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 44920042
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2421576
(3R)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51929683
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 41273997
[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 31792685
(3S)-N'-[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 41105725
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16942588
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 23879097
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46593797
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
(3R)-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 40894077

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 16826134) is N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is PTJZELSAMDQIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S4/c29-23(16-7-5-13-28(15-16)35(30,31)21-12-6-14-32-21)27-25-22(17-8-1-3-10-19(17)33-25)24-26-18-9-2-4-11-20(18)34-24/h2,4,6,9,11-12,14,16H,1,3,5,7-8,10,13,15H2,(H,27,29).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 543.76 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16826134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).