2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide

C17H28N2OS — CID 64663351

IUPAC2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Sc1cccc(C(C)NC)c1
InChIInChI=1S/C17H28N2OS/c1-6-8-12(2)19-17(20)14(4)21-16-10-7-9-15(11-16)13(3)18-5/h7,9-14,18H,6,8H2,1-5H3,(H,19,20)
InChIKeyXUOUGHIROIEDQR-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.75
Rot. Bonds8

About 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide

2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide (PubChem CID 64663351) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide
PubChem CID64663351
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Sc1cccc(C(C)NC)c1
InChIInChI=1S/C17H28N2OS/c1-6-8-12(2)19-17(20)14(4)21-16-10-7-9-15(11-16)13(3)18-5/h7,9-14,18H,6,8H2,1-5H3,(H,19,20)
InChIKeyXUOUGHIROIEDQR-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide
CID 64665498
N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine
CID 64663343
N-butan-2-yl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66348555
2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-3-ylacetamide
CID 64660929
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752
N-methyl-1-(3-pentylsulfanylphenyl)ethanamine
CID 64663527
2-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutanenitrile
CID 64666313
methyl 2,2-dimethyl-3-[3-[1-(methylamino)ethyl]phenyl]sulfanylpropanoate
CID 79631485
N-methyl-1-(3-nonylsulfanylphenyl)ethanamine
CID 64664208
N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine
CID 64661334
1-(3-but-3-en-2-ylsulfanylphenyl)-N-methylethanamine
CID 64665485
N-methyl-1-[3-(2-propoxyethylsulfanyl)phenyl]ethanamine
CID 106458178

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide (CID 64663351) is 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Sc1cccc(C(C)NC)c1.
What is the InChIKey of 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide?
The InChIKey is XUOUGHIROIEDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-6-8-12(2)19-17(20)14(4)21-16-10-7-9-15(11-16)13(3)18-5/h7,9-14,18H,6,8H2,1-5H3,(H,19,20).
What are the key properties of 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide?
2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide has a molecular weight of 308.49 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide is sourced from PubChem (CID 64663351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).