4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide

C17H21N3O4S2 — CID 25405477

IUPAC4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1
InChIInChI=1S/C17H21N3O4S2/c1-12-7-9-20(10-8-12)16(21)15-11-25-17(18-15)19-26(22,23)14-5-3-13(24-2)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)
InChIKeyXTLMFEJTCPZOSZ-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.82
Rot. Bonds5

About 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide

4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 25405477) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID25405477
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1
InChIInChI=1S/C17H21N3O4S2/c1-12-7-9-20(10-8-12)16(21)15-11-25-17(18-15)19-26(22,23)14-5-3-13(24-2)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)
InChIKeyXTLMFEJTCPZOSZ-UHFFFAOYSA-N
XLogP2.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 25405296
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 25405503
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53161058
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088
methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
CID 16944929
N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 25405806
[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 134085428
N-(2-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109102
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109107
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405569

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 25405477) is 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc(C(=O)N3CCC(C)CC3)cs2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is XTLMFEJTCPZOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-12-7-9-20(10-8-12)16(21)15-11-25-17(18-15)19-26(22,23)14-5-3-13(24-2)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 395.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 25405477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).