2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

C23H28N2O4S2 — CID 40986092

IUPAC2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1SC[C@@H]1CCCO1
InChIInChI=1S/C23H28N2O4S2/c26-23(21-11-2-3-12-22(21)30-17-19-9-7-15-29-19)24-18-8-6-10-20(16-18)31(27,28)25-13-4-1-5-14-25/h2-3,6,8,10-12,16,19H,1,4-5,7,9,13-15,17H2,(H,24,26)/t19-/m0/s1
InChIKeyNYKZAAIAMJBCIN-IBGZPJMESA-N
MW460.62 g/mol
LogP4.38
Rot. Bonds7

About 2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 40986092) has the molecular formula C23H28N2O4S2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID40986092
Molecular FormulaC23H28N2O4S2
Molecular Weight460.62 g/mol
Exact Mass460.15
IUPAC Name2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1SC[C@@H]1CCCO1
InChIInChI=1S/C23H28N2O4S2/c26-23(21-11-2-3-12-22(21)30-17-19-9-7-15-29-19)24-18-8-6-10-20(16-18)31(27,28)25-13-4-1-5-14-25/h2-3,6,8,10-12,16,19H,1,4-5,7,9,13-15,17H2,(H,24,26)/t19-/m0/s1
InChIKeyNYKZAAIAMJBCIN-IBGZPJMESA-N
XLogP4.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55477836
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzamide
CID 41118349
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9328245
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 55604794
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 30594091
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
methyl 2-[2-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]phenyl]sulfanylpropanoate
CID 55883528
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide (CID 40986092) is 2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1SC[C@@H]1CCCO1.
What is the InChIKey of 2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is NYKZAAIAMJBCIN-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O4S2/c26-23(21-11-2-3-12-22(21)30-17-19-9-7-15-29-19)24-18-8-6-10-20(16-18)31(27,28)25-13-4-1-5-14-25/h2-3,6,8,10-12,16,19H,1,4-5,7,9,13-15,17H2,(H,24,26)/t19-/m0/s1.
What are the key properties of 2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 460.62 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 40986092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).