1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide

C21H24N4O5S2 — CID 20853505

IUPAC1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c(OC)c1
InChIInChI=1S/C21H24N4O5S2/c1-24(17-8-7-15(29-2)13-18(17)30-3)21(26)14-9-11-25(12-10-14)32(27,28)19-6-4-5-16-20(19)23-31-22-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeySAXGZSZLUNHTNE-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.77
Rot. Bonds6

About 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 20853505) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide
PubChem CID20853505
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC Name1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c(OC)c1
InChIInChI=1S/C21H24N4O5S2/c1-24(17-8-7-15(29-2)13-18(17)30-3)21(26)14-9-11-25(12-10-14)32(27,28)19-6-4-5-16-20(19)23-31-22-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeySAXGZSZLUNHTNE-UHFFFAOYSA-N
XLogP2.77
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-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

Related Compounds

(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpyrrolidine-2-carboxamide
CID 92505675
(2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,5-dimethoxyphenyl)-N-methylpyrrolidine-2-carboxamide
CID 92665175
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 20853465
N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
CID 55792264
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-bis(2-methylpropyl)piperidine-4-carboxamide
CID 5322968
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methoxyphenyl)-N-methylpyrrolidine-2-carboxamide
CID 20862304
N-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737430
azepan-1-yl-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]methanone
CID 20853463
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-phenylmethanone
CID 55488622
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 3241185
[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 42570707

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide (CID 20853505) is 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide is COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c(OC)c1.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is SAXGZSZLUNHTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-24(17-8-7-15(29-2)13-18(17)30-3)21(26)14-9-11-25(12-10-14)32(27,28)19-6-4-5-16-20(19)23-31-22-16/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide?
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,4-dimethoxyphenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 20853505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).