N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

C22H27ClN2O3S — CID 3202308

IUPACN-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-28-14-13-25(22(27)19-8-5-15-29-19)20(16-9-11-17(23)12-10-16)21(26)24-18-6-3-2-4-7-18/h5,8-12,15,18,20H,2-4,6-7,13-14H2,1H3,(H,24,26)
InChIKeyCVBJXASNGUNVKO-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.68
Rot. Bonds8

About N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide

N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (PubChem CID 3202308) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
PubChem CID3202308
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC NameN-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-28-14-13-25(22(27)19-8-5-15-29-19)20(16-9-11-17(23)12-10-16)21(26)24-18-6-3-2-4-7-18/h5,8-12,15,18,20H,2-4,6-7,13-14H2,1H3,(H,24,26)
InChIKeyCVBJXASNGUNVKO-UHFFFAOYSA-N
XLogP4.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211869
N-cyclopentyl-2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202874
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
CID 7404530
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1441603
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 3202367
N-cyclopentyl-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 3202654
N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 3202329
N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 3202397
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
CID 3668552
N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 1471472
2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202552
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 3228313

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide (CID 3202308) is N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is COCCN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
The InChIKey is CVBJXASNGUNVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-28-14-13-25(22(27)19-8-5-15-29-19)20(16-9-11-17(23)12-10-16)21(26)24-18-6-3-2-4-7-18/h5,8-12,15,18,20H,2-4,6-7,13-14H2,1H3,(H,24,26).
What are the key properties of N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide?
N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide has a molecular weight of 434.99 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 3202308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).