N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide

C28H34N4O2S — CID 23854086

IUPACN-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESCN(CCc1ccccc1)Cc1ccc(C(=O)NC2CCCCC2N)cc1NC(=O)c1cccs1
InChIInChI=1S/C28H34N4O2S/c1-32(16-15-20-8-3-2-4-9-20)19-22-14-13-21(27(33)30-24-11-6-5-10-23(24)29)18-25(22)31-28(34)26-12-7-17-35-26/h2-4,7-9,12-14,17-18,23-24H,5-6,10-11,15-16,19,29H2,1H3,(H,30,33)(H,31,34)
InChIKeyAFZWBEKIHITKML-UHFFFAOYSA-N
MW490.67 g/mol
LogP4.67
Rot. Bonds9

About N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide

N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide (PubChem CID 23854086) has the molecular formula C28H34N4O2S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide
PubChem CID23854086
Molecular FormulaC28H34N4O2S
Molecular Weight490.67 g/mol
Exact Mass490.24
IUPAC NameN-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide
SMILESCN(CCc1ccccc1)Cc1ccc(C(=O)NC2CCCCC2N)cc1NC(=O)c1cccs1
InChIInChI=1S/C28H34N4O2S/c1-32(16-15-20-8-3-2-4-9-20)19-22-14-13-21(27(33)30-24-11-6-5-10-23(24)29)18-25(22)31-28(34)26-12-7-17-35-26/h2-4,7-9,12-14,17-18,23-24H,5-6,10-11,15-16,19,29H2,1H3,(H,30,33)(H,31,34)
InChIKeyAFZWBEKIHITKML-UHFFFAOYSA-N
XLogP4.67
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(2-aminoethyl)-3-[(3,5-difluorobenzoyl)amino]-4-[[methyl(2-phenylethyl)amino]methyl]benzamide
CID 23735604
3,4-dichloro-N-[(1R,2R)-2-[methyl(2-phenylethyl)amino]cyclohexyl]benzamide
CID 54000484
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 27673293
4-[(4-acetylpiperazin-1-yl)methyl]-N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]benzamide
CID 23798099
N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865
N-[[4-[[2-(aminomethyl)cyclopentyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 119603218
N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23820529
3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid
CID 65488572
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate
CID 3549796

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide (CID 23854086) is N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide is CN(CCc1ccccc1)Cc1ccc(C(=O)NC2CCCCC2N)cc1NC(=O)c1cccs1.
What is the InChIKey of N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is AFZWBEKIHITKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2S/c1-32(16-15-20-8-3-2-4-9-20)19-22-14-13-21(27(33)30-24-11-6-5-10-23(24)29)18-25(22)31-28(34)26-12-7-17-35-26/h2-4,7-9,12-14,17-18,23-24H,5-6,10-11,15-16,19,29H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide?
N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 490.67 g/mol, XLogP of 4.67, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-aminocyclohexyl)carbamoyl]-2-[[methyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 23854086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).