(2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide

C32H29FN6O3 — CID 98090900

IUPAC(2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(NC1CCCC1)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc2ccccc12
InChIInChI=1S/C32H29FN6O3/c33-24-16-12-23(13-17-24)31-35-37-38(36-31)20-29(41)39(28-11-5-7-21-6-1-4-10-27(21)28)30(22-14-18-26(40)19-15-22)32(42)34-25-8-2-3-9-25/h1,4-7,10-19,25,30,40H,2-3,8-9,20H2,(H,34,42)/t30-/m0/s1
InChIKeyUFUJPDOOWIAQST-PMERELPUSA-N
MW564.62 g/mol
LogP5.17
Rot. Bonds8

About (2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide

(2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide (PubChem CID 98090900) has the molecular formula C32H29FN6O3 and a molecular weight of 564.62 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide
PubChem CID98090900
Molecular FormulaC32H29FN6O3
Molecular Weight564.62 g/mol
Exact Mass564.23
IUPAC Name(2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(NC1CCCC1)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc2ccccc12
InChIInChI=1S/C32H29FN6O3/c33-24-16-12-23(13-17-24)31-35-37-38(36-31)20-29(41)39(28-11-5-7-21-6-1-4-10-27(21)28)30(22-14-18-26(40)19-15-22)32(42)34-25-8-2-3-9-25/h1,4-7,10-19,25,30,40H,2-3,8-9,20H2,(H,34,42)/t30-/m0/s1
InChIKeyUFUJPDOOWIAQST-PMERELPUSA-N
XLogP5.17
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.62
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide
CID 3180231
N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
CID 3180672
(2S)-N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)acetamide
CID 98091086
N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 3761738
(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-methoxyphenyl)acetamide
CID 98090912
N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 3180504
(2S)-N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 25447305
(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446251
N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
CID 3190125
(2R)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 98090886
(2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 25447546
N-cyclohexyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide
CID 3354537

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide (CID 98090900) is (2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide is O=C(NC1CCCC1)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc2ccccc12.
What is the InChIKey of (2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is UFUJPDOOWIAQST-PMERELPUSA-N. The full InChI is InChI=1S/C32H29FN6O3/c33-24-16-12-23(13-17-24)31-35-37-38(36-31)20-29(41)39(28-11-5-7-21-6-1-4-10-27(21)28)30(22-14-18-26(40)19-15-22)32(42)34-25-8-2-3-9-25/h1,4-7,10-19,25,30,40H,2-3,8-9,20H2,(H,34,42)/t30-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide?
(2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 564.62 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-naphthalen-1-ylamino]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 98090900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).