2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide

C18H30N2OS — CID 112825969

IUPAC2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide
SMILESCc1cc(C(C)NC(C)C(=O)NC2CCCCC2C)c(C)s1
InChIInChI=1S/C18H30N2OS/c1-11-8-6-7-9-17(11)20-18(21)14(4)19-13(3)16-10-12(2)22-15(16)5/h10-11,13-14,17,19H,6-9H2,1-5H3,(H,20,21)
InChIKeyYDUWYGAEWCLOSO-UHFFFAOYSA-N
MW322.52 g/mol
LogP4.10
Rot. Bonds5

About 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide

2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide (PubChem CID 112825969) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide
PubChem CID112825969
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC Name2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide
SMILESCc1cc(C(C)NC(C)C(=O)NC2CCCCC2C)c(C)s1
InChIInChI=1S/C18H30N2OS/c1-11-8-6-7-9-17(11)20-18(21)14(4)19-13(3)16-10-12(2)22-15(16)5/h10-11,13-14,17,19H,6-9H2,1-5H3,(H,20,21)
InChIKeyYDUWYGAEWCLOSO-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 66338499
ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 61498588
2-bromo-3-methyl-N-(2-methylcyclohexyl)butanamide
CID 24704184
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 124614367
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648517
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 25163565
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11924075
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 11917498
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-methyl-N-(2-methylcycloheptyl)-2-sulfanylbutanamide
CID 107031478
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide (CID 112825969) is 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide is Cc1cc(C(C)NC(C)C(=O)NC2CCCCC2C)c(C)s1.
What is the InChIKey of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide?
The InChIKey is YDUWYGAEWCLOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-11-8-6-7-9-17(11)20-18(21)14(4)19-13(3)16-10-12(2)22-15(16)5/h10-11,13-14,17,19H,6-9H2,1-5H3,(H,20,21).
What are the key properties of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide?
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide has a molecular weight of 322.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 112825969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).