(2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide

C24H30N6O3S — CID 25306317

IUPAC(2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCC1
InChIInChI=1S/C24H30N6O3S/c1-24(2,3)25-23(33)21(16-10-12-18(31)13-11-16)30(17-7-4-5-8-17)20(32)15-29-27-22(26-28-29)19-9-6-14-34-19/h6,9-14,17,21,31H,4-5,7-8,15H2,1-3H3,(H,25,33)/t21-/m1/s1
InChIKeyLGCWVNMNRCICJC-OAQYLSRUSA-N
MW482.61 g/mol
LogP3.53
Rot. Bonds7

About (2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide

(2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide (PubChem CID 25306317) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
PubChem CID25306317
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC Name(2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCC1
InChIInChI=1S/C24H30N6O3S/c1-24(2,3)25-23(33)21(16-10-12-18(31)13-11-16)30(17-7-4-5-8-17)20(32)15-29-27-22(26-28-29)19-9-6-14-34-19/h6,9-14,17,21,31H,4-5,7-8,15H2,1-3H3,(H,25,33)/t21-/m1/s1
InChIKeyLGCWVNMNRCICJC-OAQYLSRUSA-N
XLogP3.53
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-N-benzyl-2-(4-chlorophenyl)-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
CID 1143740
N-benzyl-2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide
CID 3190185
N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
CID 3190167
2-[cyclohexyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]butanamide
CID 3190262
(2S)-N-tert-butyl-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
CID 98097093
(2S)-N-tert-butyl-2-(4-chlorophenyl)-2-(4-ethoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
CID 98097096
2-[benzyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide
CID 3190087
(2R)-N-tert-butyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 25310586
(2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide
CID 40581001
N-cyclopentyl-2-(4-fluorophenyl)-2-(4-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
CID 3190125
N-benzyl-2-(4-hydroxyphenyl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide
CID 3190200
(2R)-N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 40580964

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of (2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide (CID 25306317) is (2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide is CC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCC1.
What is the InChIKey of (2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is LGCWVNMNRCICJC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-24(2,3)25-23(33)21(16-10-12-18(31)13-11-16)30(17-7-4-5-8-17)20(32)15-29-27-22(26-28-29)19-9-6-14-34-19/h6,9-14,17,21,31H,4-5,7-8,15H2,1-3H3,(H,25,33)/t21-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
(2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 482.61 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[cyclopentyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 25306317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).