N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide

C17H26N2OS — CID 66349004

IUPACN-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
SMILESCCNCc1cccc(SC(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C17H26N2OS/c1-3-18-12-14-7-6-10-16(11-14)21-13(2)17(20)19-15-8-4-5-9-15/h6-7,10-11,13,15,18H,3-5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyVSRHHOHPBURCEH-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.34
Rot. Bonds7

About N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide

N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide (PubChem CID 66349004) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
PubChem CID66349004
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
SMILESCCNCc1cccc(SC(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C17H26N2OS/c1-3-18-12-14-7-6-10-16(11-14)21-13(2)17(20)19-15-8-4-5-9-15/h6-7,10-11,13,15,18H,3-5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyVSRHHOHPBURCEH-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
N-(4-methylbenzyl)-3-[(4-methylbenzyl)thio]propanamide
CID 4086402
3-[(2-fluorobenzyl)thio]-N-(1-phenylethyl)propanamide
CID 5053724
(4R)-N-Octadecyl-2-phenyl-4-thiazolidinecarboxamide
CID 11156218
(4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide
CID 11316635
Atcaa-1
CID 44433149

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide?
The IUPAC name of N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide (CID 66349004) is N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide is CCNCc1cccc(SC(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide?
The InChIKey is VSRHHOHPBURCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-18-12-14-7-6-10-16(11-14)21-13(2)17(20)19-15-8-4-5-9-15/h6-7,10-11,13,15,18H,3-5,8-9,12H2,1-2H3,(H,19,20).
What are the key properties of N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide?
N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide has a molecular weight of 306.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 66349004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).