N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

C16H24N2OS — CID 27099197

IUPACN-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-18(11-13-7-9-15(20-2)10-8-13)12-16(19)17-14-5-3-4-6-14/h7-10,14H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyZPFSZQBJZOKDMW-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.90
Rot. Bonds6

About N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (PubChem CID 27099197) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
PubChem CID27099197
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCSc1ccc(CN(C)CC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-18(11-13-7-9-15(20-2)10-8-13)12-16(19)17-14-5-3-4-6-14/h7-10,14H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyZPFSZQBJZOKDMW-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871
2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide
CID 9040584
N-cyclohexyl-3-[[N,N'-dimethyl-N-[(4-methylsulfanylphenyl)methyl]carbamimidoyl]amino]propanamide
CID 111299141
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
CID 43386086
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 43248801
3-cyclopropyl-1-methyl-1-[(4-methylsulfanylphenyl)methyl]thiourea
CID 8787224
(2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 8594722
2-[(3-bromo-4-fluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 54980387
N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 51076389

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The IUPAC name of N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (CID 27099197) is N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is CSc1ccc(CN(C)CC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The InChIKey is ZPFSZQBJZOKDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-18(11-13-7-9-15(20-2)10-8-13)12-16(19)17-14-5-3-4-6-14/h7-10,14H,3-6,11-12H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide has a molecular weight of 292.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 27099197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).