(2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide

C23H33N3O3S — CID 53361855

IUPAC(2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide
SMILESO=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)C1CCCCC1)c1cccs1
InChIInChI=1S/C23H33N3O3S/c27-21(24-17-10-4-5-11-17)18-12-6-14-26(18)23(29)20(16-8-2-1-3-9-16)25-22(28)19-13-7-15-30-19/h7,13,15-18,20H,1-6,8-12,14H2,(H,24,27)(H,25,28)/t18-,20-/m0/s1
InChIKeyVQSQDAMGDMXDOX-ICSRJNTNSA-N
MW431.60 g/mol
LogP3.48
Rot. Bonds6

About (2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide (PubChem CID 53361855) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide
PubChem CID53361855
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name(2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide
SMILESO=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)C1CCCCC1)c1cccs1
InChIInChI=1S/C23H33N3O3S/c27-21(24-17-10-4-5-11-17)18-12-6-14-26(18)23(29)20(16-8-2-1-3-9-16)25-22(28)19-13-7-15-30-19/h7,13,15-18,20H,1-6,8-12,14H2,(H,24,27)(H,25,28)/t18-,20-/m0/s1
InChIKeyVQSQDAMGDMXDOX-ICSRJNTNSA-N
XLogP3.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide
CID 53361898
N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-1-[(2S)-2-[[2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 143353846
(2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 53361866
N-cyclopropyl-1-[2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide
CID 136526356
(2S)-N-cyclopentyl-1-[(2S)-3-pyridin-3-yl-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53361782
N-(4-hydroxycyclohexyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844706
N-piperidin-4-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119386471
(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035200
methyl (2R)-1-[(2S)-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 93039678
N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119589432
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 92954382

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide (CID 53361855) is (2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide is O=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)C1CCCCC1)c1cccs1.
What is the InChIKey of (2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The InChIKey is VQSQDAMGDMXDOX-ICSRJNTNSA-N. The full InChI is InChI=1S/C23H33N3O3S/c27-21(24-17-10-4-5-11-17)18-12-6-14-26(18)23(29)20(16-8-2-1-3-9-16)25-22(28)19-13-7-15-30-19/h7,13,15-18,20H,1-6,8-12,14H2,(H,24,27)(H,25,28)/t18-,20-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide has a molecular weight of 431.60 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 53361855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).