N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide

C14H21NOS — CID 78791745

IUPACN-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
SMILESCC1CCC(NC(=O)CCc2cccs2)CC1
InChIInChI=1S/C14H21NOS/c1-11-4-6-12(7-5-11)15-14(16)9-8-13-3-2-10-17-13/h2-3,10-12H,4-9H2,1H3,(H,15,16)
InChIKeyDKNMVUBZUWHCJX-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.38
Rot. Bonds4

About N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide

N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide (PubChem CID 78791745) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
PubChem CID78791745
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
SMILESCC1CCC(NC(=O)CCc2cccs2)CC1
InChIInChI=1S/C14H21NOS/c1-11-4-6-12(7-5-11)15-14(16)9-8-13-3-2-10-17-13/h2-3,10-12H,4-9H2,1H3,(H,15,16)
InChIKeyDKNMVUBZUWHCJX-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 134047770
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 110819982
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110736543
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
N-cyclopropyl-4-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]butanamide
CID 111348850
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110719746

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide (CID 78791745) is N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide is CC1CCC(NC(=O)CCc2cccs2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide?
The InChIKey is DKNMVUBZUWHCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-4-6-12(7-5-11)15-14(16)9-8-13-3-2-10-17-13/h2-3,10-12H,4-9H2,1H3,(H,15,16).
What are the key properties of N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide?
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide has a molecular weight of 251.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 78791745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).