2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide

C24H26N6O4S — CID 3229365

IUPAC2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide
SMILESCOc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC(C)C)c2ccc(C)o2)c1
InChIInChI=1S/C24H26N6O4S/c1-15(2)25-24(32)22(19-11-10-16(3)34-19)30(17-7-5-8-18(13-17)33-4)21(31)14-29-27-23(26-28-29)20-9-6-12-35-20/h5-13,15,22H,14H2,1-4H3,(H,25,32)
InChIKeyAGUBXZBUIISUJS-UHFFFAOYSA-N
MW494.58 g/mol
LogP3.61
Rot. Bonds9

About 2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide

2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide (PubChem CID 3229365) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is 2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide
PubChem CID3229365
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC Name2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide
SMILESCOc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC(C)C)c2ccc(C)o2)c1
InChIInChI=1S/C24H26N6O4S/c1-15(2)25-24(32)22(19-11-10-16(3)34-19)30(17-7-5-8-18(13-17)33-4)21(31)14-29-27-23(26-28-29)20-9-6-12-35-20/h5-13,15,22H,14H2,1-4H3,(H,25,32)
InChIKeyAGUBXZBUIISUJS-UHFFFAOYSA-N
XLogP3.61
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide (CID 3229365) is 2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide is COc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC(C)C)c2ccc(C)o2)c1.
What is the InChIKey of 2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide?
The InChIKey is AGUBXZBUIISUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-15(2)25-24(32)22(19-11-10-16(3)34-19)30(17-7-5-8-18(13-17)33-4)21(31)14-29-27-23(26-28-29)20-9-6-12-35-20/h5-13,15,22H,14H2,1-4H3,(H,25,32).
What are the key properties of 2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide?
2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide has a molecular weight of 494.58 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 3229365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).