N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C17H17N3O3S3 — CID 4139191

IUPACN-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1cccs1
InChIInChI=1S/C17H17N3O3S3/c21-16(14-5-4-10-24-14)19-17-18-13-7-6-12(11-15(13)25-17)26(22,23)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,18,19,21)
InChIKeyKQMVHJGMPOLVCJ-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.78
Rot. Bonds4

About N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 4139191) has the molecular formula C17H17N3O3S3 and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID4139191
Molecular FormulaC17H17N3O3S3
Molecular Weight407.54 g/mol
Exact Mass407.04
IUPAC NameN-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1cccs1
InChIInChI=1S/C17H17N3O3S3/c21-16(14-5-4-10-24-14)19-17-18-13-7-6-12(11-15(13)25-17)26(22,23)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,18,19,21)
InChIKeyKQMVHJGMPOLVCJ-UHFFFAOYSA-N
XLogP3.78
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-iodo-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 4572291
3-methyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3671432
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 1265057
2-bromo-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 4112345
3,4-dimethyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 4245592
N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 4172951
4-(bromomethyl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3345970
2-methyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 4295098
N-[6-(azetidin-1-ylsulfonyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 146421246
4-(azepan-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701476
2-ethylsulfonyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 55625032
4-(1,3-dioxoisoindol-2-yl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3464705

Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 4139191) is N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1cccs1.
What is the InChIKey of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is KQMVHJGMPOLVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S3/c21-16(14-5-4-10-24-14)19-17-18-13-7-6-12(11-15(13)25-17)26(22,23)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,18,19,21).
What are the key properties of N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4139191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).