N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C20H21N3O4S2 — CID 162522988

IUPACN-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1
InChIInChI=1S/C20H21N3O4S2/c1-27-17-4-2-3-5-19(17)29(25,26)23-10-8-14(9-11-23)20(24)22-15-6-7-18-16(12-15)21-13-28-18/h2-7,12-14H,8-11H2,1H3,(H,22,24)
InChIKeySGEKVYFYVUQQSW-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.34
Rot. Bonds5

About N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 162522988) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID162522988
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1
InChIInChI=1S/C20H21N3O4S2/c1-27-17-4-2-3-5-19(17)29(25,26)23-10-8-14(9-11-23)20(24)22-15-6-7-18-16(12-15)21-13-28-18/h2-7,12-14H,8-11H2,1H3,(H,22,24)
InChIKeySGEKVYFYVUQQSW-UHFFFAOYSA-N
XLogP3.34
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 38010763
(3R)-N-(1,3-benzothiazol-5-yl)-1-quinolin-6-ylsulfonylpyrrolidine-3-carboxamide
CID 162523062
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
1-(2-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 26577975
N-(1-benzothiophen-5-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828258
methyl 5-[[1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 28549755
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 126382202
methyl 5-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 28549828
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17018169
1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 26515800

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 162522988) is N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SGEKVYFYVUQQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-27-17-4-2-3-5-19(17)29(25,26)23-10-8-14(9-11-23)20(24)22-15-6-7-18-16(12-15)21-13-28-18/h2-7,12-14H,8-11H2,1H3,(H,22,24).
What are the key properties of N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 162522988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).