4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide

C17H27N3O2S — CID 16614679

IUPAC4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCCc1cccs1
InChIInChI=1S/C17H27N3O2S/c21-16(18-12-10-15-8-5-13-23-15)9-4-11-19-17(22)20-14-6-2-1-3-7-14/h5,8,13-14H,1-4,6-7,9-12H2,(H,18,21)(H2,19,20,22)
InChIKeyTXRVQYQCQJEKFO-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.82
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide

4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 16614679) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID16614679
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCCc1cccs1
InChIInChI=1S/C17H27N3O2S/c21-16(18-12-10-15-8-5-13-23-15)9-4-11-19-17(22)20-14-6-2-1-3-7-14/h5,8,13-14H,1-4,6-7,9-12H2,(H,18,21)(H2,19,20,22)
InChIKeyTXRVQYQCQJEKFO-UHFFFAOYSA-N
XLogP2.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)butanamide
CID 134057481
4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
CID 18152352
N-cyclopropyl-4-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]butanamide
CID 111348850
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 3496710
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
CID 18153096
benzyl 2-[4-(cyclohexylcarbamoylamino)butanoylamino]acetate
CID 16614928
1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 110706626
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 26332890

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide (CID 16614679) is 4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide is O=C(CCCNC(=O)NC1CCCCC1)NCCc1cccs1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is TXRVQYQCQJEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c21-16(18-12-10-15-8-5-13-23-15)9-4-11-19-17(22)20-14-6-2-1-3-7-14/h5,8,13-14H,1-4,6-7,9-12H2,(H,18,21)(H2,19,20,22).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide?
4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 337.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 16614679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).