N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

C19H27N3O2S — CID 120557119

IUPACN-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCC1CNCCC1NC(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C19H27N3O2S/c1-14-12-20-9-8-16(14)21-19(24)15-6-2-3-7-17(15)25-13-18(23)22-10-4-5-11-22/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3,(H,21,24)
InChIKeyGXGOGJCOUXUINX-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.13
Rot. Bonds5

About N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (PubChem CID 120557119) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
PubChem CID120557119
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCC1CNCCC1NC(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C19H27N3O2S/c1-14-12-20-9-8-16(14)21-19(24)15-6-2-3-7-17(15)25-13-18(23)22-10-4-5-11-22/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3,(H,21,24)
InChIKeyGXGOGJCOUXUINX-UHFFFAOYSA-N
XLogP2.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-piperidin-3-ylbenzamide
CID 119427657
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
CID 120556800
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557909
N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 47100068
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide
CID 119450088
2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450087
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451548
(2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid
CID 119244244
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-phenylethyl)benzamide
CID 24980996
N-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 95788992
N-(3-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 79886370

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (CID 120557119) is N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is CC1CNCCC1NC(=O)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The InChIKey is GXGOGJCOUXUINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-14-12-20-9-8-16(14)21-19(24)15-6-2-3-7-17(15)25-13-18(23)22-10-4-5-11-22/h2-3,6-7,14,16,20H,4-5,8-13H2,1H3,(H,21,24).
What are the key properties of N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide has a molecular weight of 361.51 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is sourced from PubChem (CID 120557119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).