N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide

C18H27NOS — CID 86902888

IUPACN-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NC(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C18H27NOS/c1-14(13-21-2)18(20)19-17(16-10-6-7-11-16)12-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3,(H,19,20)
InChIKeyBSFWJAYDVYJRNS-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.90
Rot. Bonds7

About N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide

N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide (PubChem CID 86902888) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide
PubChem CID86902888
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC NameN-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)NC(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C18H27NOS/c1-14(13-21-2)18(20)19-17(16-10-6-7-11-16)12-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3,(H,19,20)
InChIKeyBSFWJAYDVYJRNS-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(1-cyclopentyl-2-phenylethyl)amino]-1-oxopropan-2-yl]benzamide
CID 86945414
(2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119331086
N-[1-[(1-cyclopropyl-2-phenylethyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014691
(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid
CID 122037865
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
CID 154807500
[(1S)-1-cyclohexylethyl] (2S)-2-acetamido-3-phenylpropanoate
CID 90680452
1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438906
1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine
CID 115706143
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide (CID 86902888) is N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)NC(Cc1ccccc1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is BSFWJAYDVYJRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-14(13-21-2)18(20)19-17(16-10-6-7-11-16)12-15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3,(H,19,20).
What are the key properties of N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide?
N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 305.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 86902888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).