N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide

C14H20N2OS — CID 79217551

IUPACN-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccccc1SC)C1CCNC1
InChIInChI=1S/C14H20N2OS/c1-3-16(11-8-9-15-10-11)14(17)12-6-4-5-7-13(12)18-2/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyNDMTWQKHYVFQKJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.23
Rot. Bonds4

About N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide

N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 79217551) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
PubChem CID79217551
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccccc1SC)C1CCNC1
InChIInChI=1S/C14H20N2OS/c1-3-16(11-8-9-15-10-11)14(17)12-6-4-5-7-13(12)18-2/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyNDMTWQKHYVFQKJ-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806343
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide
CID 60806004
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
N-ethyl-2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 60807715
3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 81264812
N-ethyl-2-oxo-N-piperidin-3-yl-1H-pyridine-3-carboxamide
CID 63636915

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide (CID 79217551) is N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide is CCN(C(=O)c1ccccc1SC)C1CCNC1.
What is the InChIKey of N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is NDMTWQKHYVFQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-16(11-8-9-15-10-11)14(17)12-6-4-5-7-13(12)18-2/h4-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide?
N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 264.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 79217551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).