trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide

C24H30N2O2S — CID 157413299

IUPACtrans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)NCc1cc2c(s1)CCC2
InChIInChI=1S/C24H30N2O2S/c1-16(23(27)25-15-21-14-19-8-5-9-22(19)29-21)26-24(28)20-11-10-18(13-20)12-17-6-3-2-4-7-17/h2-4,6-7,14,16,18,20H,5,8-13,15H2,1H3,(H,25,27)(H,26,28)/t16-,18-,20+/m0/s1
InChIKeyPIIPCYIVCLJSLY-XKGZKEIXSA-N
MW410.58 g/mol
LogP4.02
Rot. Bonds7

About trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide

trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide (PubChem CID 157413299) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
PubChem CID157413299
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Nametrans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)NCc1cc2c(s1)CCC2
InChIInChI=1S/C24H30N2O2S/c1-16(23(27)25-15-21-14-19-8-5-9-22(19)29-21)26-24(28)20-11-10-18(13-20)12-17-6-3-2-4-7-17/h2-4,6-7,14,16,18,20H,5,8-13,15H2,1H3,(H,25,27)(H,26,28)/t16-,18-,20+/m0/s1
InChIKeyPIIPCYIVCLJSLY-XKGZKEIXSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,3R)-3-benzyl-N-[(2S)-3-oxobutan-2-yl]cyclopentane-1-carboxamide
CID 157423820
(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylpropanamide
CID 78984677
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964
2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 116677059
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119304562
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61207570
2-[2-(aminomethyl)phenyl]-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)acetamide
CID 81312193
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014271
3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 107272975
cis-(1R,3S)-3-benzyl-N-[(2S)-5-(4-carbamimidoylphenyl)-3-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 162262767
1-[(1R,3R)-3-benzylcyclopentyl]ethanone
CID 159558232
2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182498

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide (CID 157413299) is trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide is C[C@H](NC(=O)[C@@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)NCc1cc2c(s1)CCC2.
What is the InChIKey of trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is PIIPCYIVCLJSLY-XKGZKEIXSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-16(23(27)25-15-21-14-19-8-5-9-22(19)29-21)26-24(28)20-11-10-18(13-20)12-17-6-3-2-4-7-17/h2-4,6-7,14,16,18,20H,5,8-13,15H2,1H3,(H,25,27)(H,26,28)/t16-,18-,20+/m0/s1.
What are the key properties of trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-benzyl-N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 157413299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).