(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide

C24H27FN6O2 — CID 25446231

IUPAC(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C24H27FN6O2/c1-16-10-12-18(13-11-16)23-27-29-30(28-23)15-22(32)31(21-9-5-6-19(25)14-21)17(2)24(33)26-20-7-3-4-8-20/h5-6,9-14,17,20H,3-4,7-8,15H2,1-2H3,(H,26,33)/t17-/m0/s1
InChIKeyBGJFCGSEIOQDCH-KRWDZBQOSA-N
MW450.52 g/mol
LogP3.27
Rot. Bonds7

About (2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide

(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide (PubChem CID 25446231) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide
PubChem CID25446231
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide
SMILESCc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C24H27FN6O2/c1-16-10-12-18(13-11-16)23-27-29-30(28-23)15-22(32)31(21-9-5-6-19(25)14-21)17(2)24(33)26-20-7-3-4-8-20/h5-6,9-14,17,20H,3-4,7-8,15H2,1-2H3,(H,26,33)/t17-/m0/s1
InChIKeyBGJFCGSEIOQDCH-KRWDZBQOSA-N
XLogP3.27
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446251
N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methylanilino)propanamide
CID 23741250
2-(3-chloro-4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpropanamide
CID 3179866
N-cyclohexyl-2-(3-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
CID 3180672
(2S)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 25312804
(2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide
CID 25446400
N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide
CID 3688712
N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 3180504
N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
CID 3180019
N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(furan-2-yl)acetamide
CID 649891
(2R)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 40601661
(2S)-N-cyclopentyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide
CID 40586663

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide (CID 25446231) is (2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide is Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide?
The InChIKey is BGJFCGSEIOQDCH-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-16-10-12-18(13-11-16)23-27-29-30(28-23)15-22(32)31(21-9-5-6-19(25)14-21)17(2)24(33)26-20-7-3-4-8-20/h5-6,9-14,17,20H,3-4,7-8,15H2,1-2H3,(H,26,33)/t17-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide?
(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide has a molecular weight of 450.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide is sourced from PubChem (CID 25446231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).