trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide

C24H26ClN5O2 — CID 158077851

IUPACtrans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)CCc1cc(Cl)ccc1-n1ncnn1
InChIInChI=1S/C24H26ClN5O2/c1-16(28-24(32)20-8-7-18(13-20)17-5-3-2-4-6-17)23(31)12-9-19-14-21(25)10-11-22(19)30-27-15-26-29-30/h2-6,10-11,14-16,18,20H,7-9,12-13H2,1H3,(H,28,32)/t16-,18+,20+/m0/s1
InChIKeyGIQPKYFGPPAMNM-ILZDJORESA-N
MW451.96 g/mol
LogP3.91
Rot. Bonds8

About trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide

trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide (PubChem CID 158077851) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide
PubChem CID158077851
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Nametrans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)CCc1cc(Cl)ccc1-n1ncnn1
InChIInChI=1S/C24H26ClN5O2/c1-16(28-24(32)20-8-7-18(13-20)17-5-3-2-4-6-17)23(31)12-9-19-14-21(25)10-11-22(19)30-27-15-26-29-30/h2-6,10-11,14-16,18,20H,7-9,12-13H2,1H3,(H,28,32)/t16-,18+,20+/m0/s1
InChIKeyGIQPKYFGPPAMNM-ILZDJORESA-N
XLogP3.91
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,3R)-3-benzyl-N-[(2S)-5-[5-bromo-3-methyl-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 158616696
tert-butyl (2R,4S)-2-[[(2S)-5-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxopentan-2-yl]carbamoyl]-4-(3-pyrazol-1-ylphenyl)piperidine-1-carboxylate;cis-(1R,3S)-N-[(2S)-5-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxopentan-2-yl]-3-(3-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 158648692
[(Z)-[amino-[4-[(4S)-3-oxo-4-[[(1R,3R)-3-phenylcyclopentanecarbonyl]amino]pentyl]phenyl]methylidene]amino] acetate
CID 172918172
trans-(1R,3R)-N-[(2S)-5-(3-amino-1,2-benzoxazol-6-yl)-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide
CID 158305523
trans-(1R,3R)-N-[(2S)-5-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide
CID 158148097
trans-(1R,3R)-N-[(2S)-5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide;trans-(1R,3R)-N-[(2S)-5-(4-isocyanophenyl)-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide
CID 172966942
2-[(4-phenylcyclohexanecarbonyl)amino]propanoic acid
CID 119225869
cis-(1R,3S)-N-[(2S)-5-(4-carbamimidoylphenyl)-3-oxopentan-2-yl]-3-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 160984993
1-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide
CID 153287122
(1R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-benzylcyclopentane-1-carboxamide
CID 161057845
3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid
CID 119221631
trans-(1R,3R)-N-[(2S)-5-(6-amino-2-methyl-3-pyridinyl)-3-oxopentan-2-yl]-3-[(3-phenylphenyl)methyl]cyclopentane-1-carboxamide
CID 159674682

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide (CID 158077851) is trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide is C[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)CCc1cc(Cl)ccc1-n1ncnn1.
What is the InChIKey of trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide?
The InChIKey is GIQPKYFGPPAMNM-ILZDJORESA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-16(28-24(32)20-8-7-18(13-20)17-5-3-2-4-6-17)23(31)12-9-19-14-21(25)10-11-22(19)30-27-15-26-29-30/h2-6,10-11,14-16,18,20H,7-9,12-13H2,1H3,(H,28,32)/t16-,18+,20+/m0/s1.
What are the key properties of trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide?
trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide has a molecular weight of 451.96 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-[(2S)-5-[5-chloro-2-(tetrazol-2-yl)phenyl]-3-oxopentan-2-yl]-3-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 158077851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).