4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide

C17H21N3O4S2 — CID 25370158

IUPAC4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cncs3)C2)cc1
InChIInChI=1S/C17H21N3O4S2/c1-24-14-4-6-15(7-5-14)26(22,23)19-9-13-3-2-8-20(11-13)17(21)16-10-18-12-25-16/h4-7,10,12-13,19H,2-3,8-9,11H2,1H3/t13-/m1/s1
InChIKeyCAWFEKCEKVVFQQ-CYBMUJFWSA-N
MW395.51 g/mol
LogP1.98
Rot. Bonds6

About 4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide

4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 25370158) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
PubChem CID25370158
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cncs3)C2)cc1
InChIInChI=1S/C17H21N3O4S2/c1-24-14-4-6-15(7-5-14)26(22,23)19-9-13-3-2-8-20(11-13)17(21)16-10-18-12-25-16/h4-7,10,12-13,19H,2-3,8-9,11H2,1H3/t13-/m1/s1
InChIKeyCAWFEKCEKVVFQQ-CYBMUJFWSA-N
XLogP1.98
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide 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

4-methoxy-N-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42527977
N-[[1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 45229284
N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 26321541
N-[[(3R)-1-(cyclohexene-1-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 26322895
4-methoxy-N-[[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26391154
4-methoxy-N-[[(3R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26333357
4-methoxy-N-[[(3R)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42198115
4-methoxy-N-[[(3S)-1-(2-piperidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42460993
4-methoxy-N-[[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42288519
4-methoxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 45203635
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
(6-methoxynaphthalen-2-yl)-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 24791502

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide (CID 25370158) is 4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cncs3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is CAWFEKCEKVVFQQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-24-14-4-6-15(7-5-14)26(22,23)19-9-13-3-2-8-20(11-13)17(21)16-10-18-12-25-16/h4-7,10,12-13,19H,2-3,8-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide?
4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 395.51 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[(3S)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 25370158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).