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N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide

C23H27N3O4S2 — CID 53106373

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)ccc21
InChIInChI=1S/C23H27N3O4S2/c1-2-12-26-20-9-8-19(15-21(20)31-23(26)28)32(29,30)25-13-10-18(11-14-25)22(27)24-16-17-6-4-3-5-7-17/h3-9,15,18H,2,10-14,16H2,1H3,(H,24,27)
InChIKeyKFDCZDBXWUGUDP-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.19
Rot. Bonds7

About N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide

N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 53106373) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID53106373
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC NameN-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)ccc21
InChIInChI=1S/C23H27N3O4S2/c1-2-12-26-20-9-8-19(15-21(20)31-23(26)28)32(29,30)25-13-10-18(11-14-25)22(27)24-16-17-6-4-3-5-7-17/h3-9,15,18H,2,10-14,16H2,1H3,(H,24,27)
InChIKeyKFDCZDBXWUGUDP-UHFFFAOYSA-N
XLogP3.19
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (CID 53106373) is N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is CCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)ccc21.
What is the InChIKey of N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is KFDCZDBXWUGUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-2-12-26-20-9-8-19(15-21(20)31-23(26)28)32(29,30)25-13-10-18(11-14-25)22(27)24-16-17-6-4-3-5-7-17/h3-9,15,18H,2,10-14,16H2,1H3,(H,24,27).
What are the key properties of N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?
N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53106373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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