2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide

C19H28N2O3S — CID 4795071

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C19H28N2O3S/c1-15(2)24-13-7-10-20-19(23)16-8-3-4-9-17(16)25-14-18(22)21-11-5-6-12-21/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,20,23)
InChIKeyNFJLDJXZGKRQEU-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.95
Rot. Bonds9

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 4795071) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID4795071
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C19H28N2O3S/c1-15(2)24-13-7-10-20-19(23)16-8-3-4-9-17(16)25-14-18(22)21-11-5-6-12-21/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,20,23)
InChIKeyNFJLDJXZGKRQEU-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide
CID 112759734
N-(3-aminopropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide;hydrochloride
CID 119407692
N-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 47100068
N-[2-(ethylamino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 119507987
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(2-phenylethyl)benzamide
CID 24817982
N-[2-(2-fluorophenyl)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39713947
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55535580
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 39990130
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-phenylethyl)benzamide
CID 24980996
(2R)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]propanoic acid
CID 119244244
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(1-pyridin-4-ylethyl)benzamide
CID 78775763

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide (CID 4795071) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is NFJLDJXZGKRQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15(2)24-13-7-10-20-19(23)16-8-3-4-9-17(16)25-14-18(22)21-11-5-6-12-21/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,20,23).
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide?
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 364.51 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 4795071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).