N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide

C25H28FN3O2S — CID 3191198

IUPACN-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
SMILESCn1cccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccccc1F
InChIInChI=1S/C25H28FN3O2S/c1-28-15-7-14-22(28)24(25(31)27-18-9-3-2-4-10-18)29(21-13-6-5-12-20(21)26)23(30)17-19-11-8-16-32-19/h5-8,11-16,18,24H,2-4,9-10,17H2,1H3,(H,27,31)
InChIKeyRFFCHFPAUIOLGW-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.99
Rot. Bonds7

About N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide

N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 3191198) has the molecular formula C25H28FN3O2S and a molecular weight of 453.58 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID3191198
Molecular FormulaC25H28FN3O2S
Molecular Weight453.58 g/mol
Exact Mass453.19
IUPAC NameN-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
SMILESCn1cccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccccc1F
InChIInChI=1S/C25H28FN3O2S/c1-28-15-7-14-22(28)24(25(31)27-18-9-3-2-4-10-18)29(21-13-6-5-12-20(21)26)23(30)17-19-11-8-16-32-19/h5-8,11-16,18,24H,2-4,9-10,17H2,1H3,(H,27,31)
InChIKeyRFFCHFPAUIOLGW-UHFFFAOYSA-N
XLogP4.99
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441619
2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide
CID 3191199
2-(2-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide
CID 3191196
N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
CID 3191201
N-cyclopentyl-2-(2-fluorophenyl)-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202815
N-cyclohexyl-2-[2-(3-methylphenyl)ethyl-(2-thiophen-2-ylacetyl)amino]-2-(1-methylpyrrol-2-yl)acetamide
CID 3191214
(2S)-N-cyclohexyl-2-[2-(3-methylphenyl)ethyl-(2-thiophen-2-ylacetyl)amino]-2-(1-methylpyrrol-2-yl)acetamide
CID 25310857
N-cyclopentyl-2-(2-fluorophenyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202828
(2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441646
(2R)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441647
methyl 4-[[(1R)-2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 25309584
N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202650

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide (CID 3191198) is N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide is Cn1cccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccccc1F.
What is the InChIKey of N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is RFFCHFPAUIOLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2S/c1-28-15-7-14-22(28)24(25(31)27-18-9-3-2-4-10-18)29(21-13-6-5-12-20(21)26)23(30)17-19-11-8-16-32-19/h5-8,11-16,18,24H,2-4,9-10,17H2,1H3,(H,27,31).
What are the key properties of N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide?
N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 453.58 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 3191198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).