N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide

C18H27N3O2S — CID 60547622

IUPACN-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide
SMILESC=CCN(Cc1cccs1)C(=O)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C18H27N3O2S/c1-2-12-21(14-16-9-6-13-24-16)18(23)19-11-10-17(22)20-15-7-4-3-5-8-15/h2,6,9,13,15H,1,3-5,7-8,10-12,14H2,(H,19,23)(H,20,22)
InChIKeyOBQARYWCJGCAPN-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.28
Rot. Bonds8

About N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide

N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide (PubChem CID 60547622) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide
PubChem CID60547622
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide
SMILESC=CCN(Cc1cccs1)C(=O)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C18H27N3O2S/c1-2-12-21(14-16-9-6-13-24-16)18(23)19-11-10-17(22)20-15-7-4-3-5-8-15/h2,6,9,13,15H,1,3-5,7-8,10-12,14H2,(H,19,23)(H,20,22)
InChIKeyOBQARYWCJGCAPN-UHFFFAOYSA-N
XLogP3.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide
CID 16614679
3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 60580727
4-[(2-cyclohexylacetyl)amino]-N,N-bis(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 60619683
N-[2-(cyclohexylamino)-2-oxoethyl]-3,4-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 1153883
N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271491
1-[(2-chloroacetyl)-(thiophen-2-ylmethyl)amino]-N-cycloheptylcyclohexane-1-carboxamide
CID 86810128
2-[2-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 60685130
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78942109
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 31330766
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide (CID 60547622) is N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide is C=CCN(Cc1cccs1)C(=O)NCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide?
The InChIKey is OBQARYWCJGCAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-2-12-21(14-16-9-6-13-24-16)18(23)19-11-10-17(22)20-15-7-4-3-5-8-15/h2,6,9,13,15H,1,3-5,7-8,10-12,14H2,(H,19,23)(H,20,22).
What are the key properties of N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide?
N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide has a molecular weight of 349.50 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide is sourced from PubChem (CID 60547622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).