N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide

C17H24N2O2S — CID 1442233

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCN(CC(=O)NC1CCCCC1)C(=O)c1ccc(C)s1
InChIInChI=1S/C17H24N2O2S/c1-3-11-19(17(21)15-10-9-13(2)22-15)12-16(20)18-14-7-5-4-6-8-14/h3,9-10,14H,1,4-8,11-12H2,2H3,(H,18,20)
InChIKeyPMBMLEASBZYKLJ-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 1442233) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide
PubChem CID1442233
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCN(CC(=O)NC1CCCCC1)C(=O)c1ccc(C)s1
InChIInChI=1S/C17H24N2O2S/c1-3-11-19(17(21)15-10-9-13(2)22-15)12-16(20)18-14-7-5-4-6-8-14/h3,9-10,14H,1,4-8,11-12H2,2H3,(H,18,20)
InChIKeyPMBMLEASBZYKLJ-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
CID 84572779
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 1433196
[2-(cyclooctylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4271051
3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716
2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276691
[2-(cycloheptylamino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7523920
5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
CID 25237569
ethyl 2-[cyclopentylcarbamoyl(prop-2-enyl)amino]acetate
CID 113331353
N-cyclohexyl-3-[[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]amino]propanamide
CID 60547622
N-cyclopentyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423369
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide (CID 1442233) is N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide is C=CCN(CC(=O)NC1CCCCC1)C(=O)c1ccc(C)s1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is PMBMLEASBZYKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-3-11-19(17(21)15-10-9-13(2)22-15)12-16(20)18-14-7-5-4-6-8-14/h3,9-10,14H,1,4-8,11-12H2,2H3,(H,18,20).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 1442233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).