N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide

C27H29FN2O3S — CID 3202397

IUPACN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C27H29FN2O3S/c1-33-23-15-8-5-10-19(23)18-30(27(32)24-16-9-17-34-24)25(21-13-6-7-14-22(21)28)26(31)29-20-11-3-2-4-12-20/h5-10,13-17,20,25H,2-4,11-12,18H2,1H3,(H,29,31)
InChIKeyZJRUKEFYAFPNQX-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.73
Rot. Bonds8

About N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide

N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 3202397) has the molecular formula C27H29FN2O3S and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID3202397
Molecular FormulaC27H29FN2O3S
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC NameN-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C27H29FN2O3S/c1-33-23-15-8-5-10-19(23)18-30(27(32)24-16-9-17-34-24)25(21-13-6-7-14-22(21)28)26(31)29-20-11-3-2-4-12-20/h5-10,13-17,20,25H,2-4,11-12,18H2,1H3,(H,29,31)
InChIKeyZJRUKEFYAFPNQX-UHFFFAOYSA-N
XLogP5.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-(2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 25309613
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 3202382
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 3202405
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 3202367
N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184904
N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202805
N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide
CID 3202820
N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3202578
methyl 4-[2-(cyclohexylamino)-1-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-oxoethyl]benzoate
CID 3191164
N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 3202329
N-[(1S)-2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 1435776
N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3202308

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 3202397) is N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccccc1CN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is ZJRUKEFYAFPNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3S/c1-33-23-15-8-5-10-19(23)18-30(27(32)24-16-9-17-34-24)25(21-13-6-7-14-22(21)28)26(31)29-20-11-3-2-4-12-20/h5-10,13-17,20,25H,2-4,11-12,18H2,1H3,(H,29,31).
What are the key properties of N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 3202397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).