N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide

C23H28N6O4S — CID 649135

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3cccs3)n2)cc1OC
InChIInChI=1S/C23H28N6O4S/c1-32-19-10-9-16(12-20(19)33-2)23-25-27-29(26-23)15-22(31)28(13-18-8-5-11-34-18)14-21(30)24-17-6-3-4-7-17/h5,8-12,17H,3-4,6-7,13-15H2,1-2H3,(H,24,30)
InChIKeyNFOCYIBLHYMXLN-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.51
Rot. Bonds10

About N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 649135) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID649135
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3cccs3)n2)cc1OC
InChIInChI=1S/C23H28N6O4S/c1-32-19-10-9-16(12-20(19)33-2)23-25-27-29(26-23)15-22(31)28(13-18-8-5-11-34-18)14-21(30)24-17-6-3-4-7-17/h5,8-12,17H,3-4,6-7,13-15H2,1-2H3,(H,24,30)
InChIKeyNFOCYIBLHYMXLN-UHFFFAOYSA-N
XLogP2.51
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-Cyclopentyl-2-(cyclopentyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-propionamide
CID 649690
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide
CID 650573
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 4880507
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 53347943
N-Cyclopentyl-2-({2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-propionamide
CID 649747
N-Benzo[1,3]dioxol-5-ylmethyl-N-[(3-methyl-butylcarbamoyl)-methyl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 650873
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-N-thiophen-2-ylmethyl-acetamide
CID 653914
2-(Cyclohexyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-N-cyclopentyl-butyramide
CID 654985
N-Cyclopentylcarbamoylmethyl-N-(3-methoxy-benzyl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 1143452
2-({2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-N-(3-methyl-butyl)-propionamide
CID 3179384
N-Cyclopentyl-2-({2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-butyramide
CID 3179913
2-{Benzo[1,3]dioxol-5-ylmethyl-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-N-benzyl-2-(4-fluoro-phenyl)-acetamide
CID 3190198

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 649135) is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3cccs3)n2)cc1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NFOCYIBLHYMXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-32-19-10-9-16(12-20(19)33-2)23-25-27-29(26-23)15-22(31)28(13-18-8-5-11-34-18)14-21(30)24-17-6-3-4-7-17/h5,8-12,17H,3-4,6-7,13-15H2,1-2H3,(H,24,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 484.58 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 649135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).