N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C22H26N6O3S — CID 1143452

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCOc1cccc(CN(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3cccs3)n2)c1
InChIInChI=1S/C22H26N6O3S/c1-31-18-9-4-6-16(12-18)13-27(14-20(29)23-17-7-2-3-8-17)21(30)15-28-25-22(24-26-28)19-10-5-11-32-19/h4-6,9-12,17H,2-3,7-8,13-15H2,1H3,(H,23,29)
InChIKeyGUELXTLNTQYLFY-UHFFFAOYSA-N
MW454.56 g/mol
LogP2.50
Rot. Bonds9

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 1143452) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID1143452
Molecular FormulaC22H26N6O3S
Molecular Weight454.56 g/mol
Exact Mass454.18
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCOc1cccc(CN(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3cccs3)n2)c1
InChIInChI=1S/C22H26N6O3S/c1-31-18-9-4-6-16(12-18)13-27(14-20(29)23-17-7-2-3-8-17)21(30)15-28-25-22(24-26-28)19-10-5-11-32-19/h4-6,9-12,17H,2-3,7-8,13-15H2,1H3,(H,23,29)
InChIKeyGUELXTLNTQYLFY-UHFFFAOYSA-N
XLogP2.50
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3179728
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 23960420
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 655165
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide
CID 3222275
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 648368
N-cyclohexyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-[(3-methoxyphenyl)methyl]amino]-2-pyridin-4-ylacetamide
CID 3190175
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 3179721
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 656377
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3180571
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
(2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
CID 40665427
(2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-thiophen-2-ylacetamide
CID 1142843

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 1143452) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is COc1cccc(CN(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3cccs3)n2)c1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is GUELXTLNTQYLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S/c1-31-18-9-4-6-16(12-18)13-27(14-20(29)23-17-7-2-3-8-17)21(30)15-28-25-22(24-26-28)19-10-5-11-32-19/h4-6,9-12,17H,2-3,7-8,13-15H2,1H3,(H,23,29).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 454.56 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 1143452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).