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

C23H30N6O4S — CID 653914

IUPAC2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3cccs3)n2)cc1OC
InChIInChI=1S/C23H30N6O4S/c1-16(2)9-10-24-21(30)14-28(13-18-6-5-11-34-18)22(31)15-29-26-23(25-27-29)17-7-8-19(32-3)20(12-17)33-4/h5-8,11-12,16H,9-10,13-15H2,1-4H3,(H,24,30)
InChIKeyYWIIKNXRBCHUDW-UHFFFAOYSA-N
MW486.60 g/mol
LogP2.61
Rot. Bonds12

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

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 653914) has the molecular formula C23H30N6O4S and a molecular weight of 486.60 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID653914
Molecular FormulaC23H30N6O4S
Molecular Weight486.60 g/mol
Exact Mass486.20
IUPAC Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3cccs3)n2)cc1OC
InChIInChI=1S/C23H30N6O4S/c1-16(2)9-10-24-21(30)14-28(13-18-6-5-11-34-18)22(31)15-29-26-23(25-27-29)17-7-8-19(32-3)20(12-17)33-4/h5-8,11-12,16H,9-10,13-15H2,1-4H3,(H,24,30)
InChIKeyYWIIKNXRBCHUDW-UHFFFAOYSA-N
XLogP2.61
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347937
N-cyclopentyl-2-[cyclopropyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 53347965
N-Cyclopentylcarbamoylmethyl-2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-N-thiophen-2-ylmethyl-acetamide
CID 649135
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 651064
2-[5-(4-Benzyloxy-3-methoxy-phenyl)-tetrazol-2-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acetamide
CID 652712
N-Benzyl-2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetamide
CID 1124038

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide (CID 653914) is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3cccs3)n2)cc1OC.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YWIIKNXRBCHUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4S/c1-16(2)9-10-24-21(30)14-28(13-18-6-5-11-34-18)22(31)15-29-26-23(25-27-29)17-7-8-19(32-3)20(12-17)33-4/h5-8,11-12,16H,9-10,13-15H2,1-4H3,(H,24,30).
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 486.60 g/mol, XLogP of 2.61, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 653914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).