N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide

C17H26N2OS — CID 64905120

IUPACN-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide
SMILESCCCNC1CCC(Sc2ccc(NC(C)=O)cc2)C1C
InChIInChI=1S/C17H26N2OS/c1-4-11-18-16-9-10-17(12(16)2)21-15-7-5-14(6-8-15)19-13(3)20/h5-8,12,16-18H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyUFMYPLKDEMHICB-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.90
Rot. Bonds6

About N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide

N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide (PubChem CID 64905120) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide
PubChem CID64905120
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide
SMILESCCCNC1CCC(Sc2ccc(NC(C)=O)cc2)C1C
InChIInChI=1S/C17H26N2OS/c1-4-11-18-16-9-10-17(12(16)2)21-15-7-5-14(6-8-15)19-13(3)20/h5-8,12,16-18H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyUFMYPLKDEMHICB-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
CID 64906351
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide
CID 64648380
N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide
CID 60713577
N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide
CID 64648961
N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide
CID 64649552
N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide
CID 155795563
N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide
CID 64648963
N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide
CID 82303870
4-tert-butyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621738
acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine
CID 143596211
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide (CID 64905120) is N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide is CCCNC1CCC(Sc2ccc(NC(C)=O)cc2)C1C.
What is the InChIKey of N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide?
The InChIKey is UFMYPLKDEMHICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-11-18-16-9-10-17(12(16)2)21-15-7-5-14(6-8-15)19-13(3)20/h5-8,12,16-18H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide?
N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide has a molecular weight of 306.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 64905120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).