5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

C20H19N5O3S — CID 14673596

IUPAC5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCC(C)Oc1c(C(=O)Nc2nn[nH]n2)sc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H19N5O3S/c1-12(2)28-17-15-10-14(27-11-13-6-4-3-5-7-13)8-9-16(15)29-18(17)19(26)21-20-22-24-25-23-20/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyHGPNPRPMBQCSRQ-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.03
Rot. Bonds7

About 5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 14673596) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID14673596
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCC(C)Oc1c(C(=O)Nc2nn[nH]n2)sc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H19N5O3S/c1-12(2)28-17-15-10-14(27-11-13-6-4-3-5-7-13)8-9-16(15)29-18(17)19(26)21-20-22-24-25-23-20/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyHGPNPRPMBQCSRQ-UHFFFAOYSA-N
XLogP4.03
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 14673596) is 5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is CC(C)Oc1c(C(=O)Nc2nn[nH]n2)sc2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is HGPNPRPMBQCSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-12(2)28-17-15-10-14(27-11-13-6-4-3-5-7-13)8-9-16(15)29-18(17)19(26)21-20-22-24-25-23-20/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of 5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 14673596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).