4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide

C22H26N2O2S — CID 47057188

IUPAC4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESCC(C)Sc1ccc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N2O2S/c1-16(2)27-20-10-8-18(9-11-20)21(25)23-15-17-6-5-7-19(14-17)22(26)24-12-3-4-13-24/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,23,25)
InChIKeyFUOJOGOFFIZAGY-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.35
Rot. Bonds6

About 4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide

4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 47057188) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID47057188
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESCC(C)Sc1ccc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N2O2S/c1-16(2)27-20-10-8-18(9-11-20)21(25)23-15-17-6-5-7-19(14-17)22(26)24-12-3-4-13-24/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,23,25)
InChIKeyFUOJOGOFFIZAGY-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide
CID 55804667
4-chloro-N-[3-methyl-1-oxo-1-[[3-(piperidine-1-carbonyl)phenyl]methylamino]butan-2-yl]benzamide
CID 55693102
2-methyl-1-(2-phenylsulfanylpropyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111677347
3-methyl-N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]benzamide
CID 55883848
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182410
1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55722187
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (CID 47057188) is 4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is CC(C)Sc1ccc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of 4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is FUOJOGOFFIZAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-16(2)27-20-10-8-18(9-11-20)21(25)23-15-17-6-5-7-19(14-17)22(26)24-12-3-4-13-24/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,23,25).
What are the key properties of 4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 382.53 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 47057188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).