N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide

C25H26N6O3S — CID 3190188

IUPACN-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
SMILESCCC(C(=O)NCc1ccccc1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1OC
InChIInChI=1S/C25H26N6O3S/c1-3-19(25(33)26-16-18-10-5-4-6-11-18)31(20-12-7-8-13-21(20)34-2)23(32)17-30-28-24(27-29-30)22-14-9-15-35-22/h4-15,19H,3,16-17H2,1-2H3,(H,26,33)
InChIKeyWHGBJUIWGYRYIW-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.54
Rot. Bonds10

About N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide

N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide (PubChem CID 3190188) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide.

Molecular Properties

Compound NameN-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
PubChem CID3190188
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC NameN-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
SMILESCCC(C(=O)NCc1ccccc1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1OC
InChIInChI=1S/C25H26N6O3S/c1-3-19(25(33)26-16-18-10-5-4-6-11-18)31(20-12-7-8-13-21(20)34-2)23(32)17-30-28-24(27-29-30)22-14-9-15-35-22/h4-15,19H,3,16-17H2,1-2H3,(H,26,33)
InChIKeyWHGBJUIWGYRYIW-UHFFFAOYSA-N
XLogP3.54
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
CID 646380
Thiophene-2-carboxylic acid (2-{2-[(4-methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 651595
Thiophene-2-carboxylic acid (2-{2-[(2-methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 656151
N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-thiophenecarboxamide
CID 1081809
N-Cyclopentylcarbamoylmethyl-N-(3-methoxy-benzyl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 1143452
1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
CID 646274
N-(2-methoxyphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 3190220
2-{(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-pentanoic acid benzylamide
CID 3190189
N-cyclohexyl-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-thiophen-2-ylacetamide
CID 3174962
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 3179788
N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)propanamide
CID 3179869
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17490199

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide?
The IUPAC name of N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide (CID 3190188) is N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide.
What is the SMILES notation for N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide?
The canonical SMILES for N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide is CCC(C(=O)NCc1ccccc1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1ccccc1OC.
What is the InChIKey of N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide?
The InChIKey is WHGBJUIWGYRYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-3-19(25(33)26-16-18-10-5-4-6-11-18)31(20-12-7-8-13-21(20)34-2)23(32)17-30-28-24(27-29-30)22-14-9-15-35-22/h4-15,19H,3,16-17H2,1-2H3,(H,26,33).
What are the key properties of N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide?
N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide has a molecular weight of 490.59 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide is sourced from PubChem (CID 3190188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).