N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide

C27H29FN2O2S — CID 56923423

IUPACN-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C27H29FN2O2S/c1-19-9-5-6-15-24(19)26(27(32)29-21-11-3-2-4-12-21)30(22-13-7-10-20(28)17-22)25(31)18-23-14-8-16-33-23/h5-10,13-17,21,26H,2-4,11-12,18H2,1H3,(H,29,32)
InChIKeySPSSOXNPEUCMPB-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.96
Rot. Bonds7

About N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide

N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (PubChem CID 56923423) has the molecular formula C27H29FN2O2S and a molecular weight of 464.61 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
PubChem CID56923423
Molecular FormulaC27H29FN2O2S
Molecular Weight464.61 g/mol
Exact Mass464.19
IUPAC NameN-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C27H29FN2O2S/c1-19-9-5-6-15-24(19)26(27(32)29-21-11-3-2-4-12-21)30(22-13-7-10-20(28)17-22)25(31)18-23-14-8-16-33-23/h5-10,13-17,21,26H,2-4,11-12,18H2,1H3,(H,29,32)
InChIKeySPSSOXNPEUCMPB-UHFFFAOYSA-N
XLogP5.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Verosudil
CID 66906051
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
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N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
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4-thiophen-3-yl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzamide
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CID 162645243
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136
N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 3202856
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CID 3216707
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N-[[5-(2-fluorophenyl)-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide (CID 56923423) is N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
The InChIKey is SPSSOXNPEUCMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2S/c1-19-9-5-6-15-24(19)26(27(32)29-21-11-3-2-4-12-21)30(22-13-7-10-20(28)17-22)25(31)18-23-14-8-16-33-23/h5-10,13-17,21,26H,2-4,11-12,18H2,1H3,(H,29,32).
What are the key properties of N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide?
N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide has a molecular weight of 464.61 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 56923423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).