N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide

C19H24N2O4S2 — CID 90499866

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCC(O)(CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C19H24N2O4S2/c1-19(23,17-6-5-13-26-17)14-20-18(22)15-7-9-16(10-8-15)27(24,25)21-11-3-2-4-12-21/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,20,22)
InChIKeyWFDSIXWAXFBIPU-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.56
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 90499866) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID90499866
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCC(O)(CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C19H24N2O4S2/c1-19(23,17-6-5-13-26-17)14-20-18(22)15-7-9-16(10-8-15)27(24,25)21-11-3-2-4-12-21/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,20,22)
InChIKeyWFDSIXWAXFBIPU-UHFFFAOYSA-N
XLogP2.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941
N-(2-methyl-2-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4882501
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111442251
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90535472
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823
N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 17440704

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide (CID 90499866) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide is CC(O)(CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is WFDSIXWAXFBIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-19(23,17-6-5-13-26-17)14-20-18(22)15-7-9-16(10-8-15)27(24,25)21-11-3-2-4-12-21/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 408.55 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 90499866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).