1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide

C16H24N2OS — CID 79653406

IUPAC1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(SCc2ccccc2C)C1
InChIInChI=1S/C16H24N2OS/c1-3-18-16(15(17)19)9-8-14(10-16)20-11-13-7-5-4-6-12(13)2/h4-7,14,18H,3,8-11H2,1-2H3,(H2,17,19)
InChIKeyZMMFTLNZWYJGRS-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.61
Rot. Bonds6

About 1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide

1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide (PubChem CID 79653406) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide
PubChem CID79653406
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(SCc2ccccc2C)C1
InChIInChI=1S/C16H24N2OS/c1-3-18-16(15(17)19)9-8-14(10-16)20-11-13-7-5-4-6-12(13)2/h4-7,14,18H,3,8-11H2,1-2H3,(H2,17,19)
InChIKeyZMMFTLNZWYJGRS-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-(furan-2-ylmethylsulfanyl)cyclopentane-1-carboxamide
CID 79653744
3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79654294
1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexane-1-carbonitrile
CID 79636099
1-(ethylamino)-3-propylsulfanylcyclohexane-1-carboxamide
CID 79637143
3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79645704
3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653549
1-(ethylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79649310
[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol
CID 79640204
1-(ethylamino)-3-(2-methylsulfonylethylsulfanyl)cyclohexane-1-carboxamide
CID 79634497
1-(ethylamino)-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxamide
CID 79645930
1-(ethylamino)-3-[(3-methylphenyl)methylsulfanyl]cyclohexane-1-carboxylic acid
CID 79635876
1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide
CID 79635146

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide (CID 79653406) is 1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(SCc2ccccc2C)C1.
What is the InChIKey of 1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide?
The InChIKey is ZMMFTLNZWYJGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-18-16(15(17)19)9-8-14(10-16)20-11-13-7-5-4-6-12(13)2/h4-7,14,18H,3,8-11H2,1-2H3,(H2,17,19).
What are the key properties of 1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide?
1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79653406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).