N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine

C23H27N5O2S — CID 649280

IUPACN-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCOc1ccc(Cn2nnnc2C(C(C)C)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C23H27N5O2S/c1-17(2)22(27(15-20-6-4-12-30-20)16-21-7-5-13-31-21)23-24-25-26-28(23)14-18-8-10-19(29-3)11-9-18/h4-13,17,22H,14-16H2,1-3H3
InChIKeySKFFGZOVPVEBGT-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.78
Rot. Bonds10

About N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine

N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 649280) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID649280
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCOc1ccc(Cn2nnnc2C(C(C)C)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C23H27N5O2S/c1-17(2)22(27(15-20-6-4-12-30-20)16-21-7-5-13-31-21)23-24-25-26-28(23)14-18-8-10-19(29-3)11-9-18/h4-13,17,22H,14-16H2,1-3H3
InChIKeySKFFGZOVPVEBGT-UHFFFAOYSA-N
XLogP4.78
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 649280) is N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine is COc1ccc(Cn2nnnc2C(C(C)C)N(Cc2ccco2)Cc2cccs2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is SKFFGZOVPVEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-17(2)22(27(15-20-6-4-12-30-20)16-21-7-5-13-31-21)23-24-25-26-28(23)14-18-8-10-19(29-3)11-9-18/h4-13,17,22H,14-16H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 437.57 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 649280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).