2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide

C25H28N6O3S — CID 3190119

IUPAC2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
SMILESCc1ccccc1N(C(=O)Cn1nnc(-c2cccs2)n1)C(C(=O)NCCC(C)C)c1ccco1
InChIInChI=1S/C25H28N6O3S/c1-17(2)12-13-26-25(33)23(20-10-6-14-34-20)31(19-9-5-4-8-18(19)3)22(32)16-30-28-24(27-29-30)21-11-7-15-35-21/h4-11,14-15,17,23H,12-13,16H2,1-3H3,(H,26,33)
InChIKeyPHIRREUMOBZBES-UHFFFAOYSA-N
MW492.61 g/mol
LogP4.24
Rot. Bonds10

About 2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide

2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide (PubChem CID 3190119) has the molecular formula C25H28N6O3S and a molecular weight of 492.61 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
PubChem CID3190119
Molecular FormulaC25H28N6O3S
Molecular Weight492.61 g/mol
Exact Mass492.19
IUPAC Name2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
SMILESCc1ccccc1N(C(=O)Cn1nnc(-c2cccs2)n1)C(C(=O)NCCC(C)C)c1ccco1
InChIInChI=1S/C25H28N6O3S/c1-17(2)12-13-26-25(33)23(20-10-6-14-34-20)31(19-9-5-4-8-18(19)3)22(32)16-30-28-24(27-29-30)21-11-7-15-35-21/h4-11,14-15,17,23H,12-13,16H2,1-3H3,(H,26,33)
InChIKeyPHIRREUMOBZBES-UHFFFAOYSA-N
XLogP4.24
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopentyl-2-(furan-2-yl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide
CID 3190133
(2S)-N-[(4-fluorophenyl)methyl]-2-(4-hydroxyphenyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide
CID 1144152
(2S)-N-cyclopentyl-2-(furan-2-yl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 25448168
(2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide
CID 25448152
(2R)-N-tert-butyl-2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
CID 25306348
(2S)-N-tert-butyl-2-(2-methyl-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
CID 25311388
(2S)-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-(furan-2-yl)-N-(3-methylbutyl)acetamide
CID 40586706
N-tert-butyl-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
CID 3179196
2-(2-fluoro-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3190230
2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 3179396
N-benzyl-2-(4-hydroxyphenyl)-2-[N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-2-(trifluoromethyl)anilino]acetamide
CID 3190200
N-cyclohexyl-2-(2,4-dimethyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
CID 3190167

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide?
The IUPAC name of 2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide (CID 3190119) is 2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide?
The canonical SMILES for 2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide is Cc1ccccc1N(C(=O)Cn1nnc(-c2cccs2)n1)C(C(=O)NCCC(C)C)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide?
The InChIKey is PHIRREUMOBZBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3S/c1-17(2)12-13-26-25(33)23(20-10-6-14-34-20)31(19-9-5-4-8-18(19)3)22(32)16-30-28-24(27-29-30)21-11-7-15-35-21/h4-11,14-15,17,23H,12-13,16H2,1-3H3,(H,26,33).
What are the key properties of 2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide?
2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide has a molecular weight of 492.61 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(3-methylbutyl)-2-(2-methyl-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)acetamide is sourced from PubChem (CID 3190119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).