N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

C23H24N6OS2 — CID 36987743

IUPACN-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)N(C(=O)CSc1nnnn1Cc1cccs1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H24N6OS2/c1-17(2)29(20-12-10-19(11-13-20)24-18-7-4-3-5-8-18)22(30)16-32-23-25-26-27-28(23)15-21-9-6-14-31-21/h3-14,17,24H,15-16H2,1-2H3
InChIKeyJKZQIYPHMZVNDK-UHFFFAOYSA-N
MW464.62 g/mol
LogP5.06
Rot. Bonds9

About N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 36987743) has the molecular formula C23H24N6OS2 and a molecular weight of 464.62 g/mol. Its IUPAC name is N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID36987743
Molecular FormulaC23H24N6OS2
Molecular Weight464.62 g/mol
Exact Mass464.15
IUPAC NameN-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)N(C(=O)CSc1nnnn1Cc1cccs1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H24N6OS2/c1-17(2)29(20-12-10-19(11-13-20)24-18-7-4-3-5-8-18)22(30)16-32-23-25-26-27-28(23)15-21-9-6-14-31-21/h3-14,17,24H,15-16H2,1-2H3
InChIKeyJKZQIYPHMZVNDK-UHFFFAOYSA-N
XLogP5.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.62
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (CID 36987743) is N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is CC(C)N(C(=O)CSc1nnnn1Cc1cccs1)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is JKZQIYPHMZVNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS2/c1-17(2)29(20-12-10-19(11-13-20)24-18-7-4-3-5-8-18)22(30)16-32-23-25-26-27-28(23)15-21-9-6-14-31-21/h3-14,17,24H,15-16H2,1-2H3.
What are the key properties of N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 464.62 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 36987743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).