N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide

C24H24N6OS — CID 16539690

IUPACN-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1nnnn1-c1ccccc1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H24N6OS/c1-18(2)29(21-15-13-20(14-16-21)25-19-9-5-3-6-10-19)23(31)17-32-24-26-27-28-30(24)22-11-7-4-8-12-22/h3-16,18,25H,17H2,1-2H3
InChIKeyNAJQJDPPBKAYAT-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.94
Rot. Bonds8

About N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide

N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 16539690) has the molecular formula C24H24N6OS and a molecular weight of 444.56 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide
PubChem CID16539690
Molecular FormulaC24H24N6OS
Molecular Weight444.56 g/mol
Exact Mass444.17
IUPAC NameN-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CSc1nnnn1-c1ccccc1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C24H24N6OS/c1-18(2)29(21-15-13-20(14-16-21)25-19-9-5-3-6-10-19)23(31)17-32-24-26-27-28-30(24)22-11-7-4-8-12-22/h3-16,18,25H,17H2,1-2H3
InChIKeyNAJQJDPPBKAYAT-UHFFFAOYSA-N
XLogP4.94
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1449901
N-(4-anilinophenyl)-N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987743
N-(4-anilinophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
CID 9114459
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
N-(4-anilinophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
CID 16516704
N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 42982990
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide
CID 3905236
N-benzyl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide
CID 2610178
N-(4-anilinophenyl)-N-propan-2-yl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55997802
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide (CID 16539690) is N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CSc1nnnn1-c1ccccc1)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is NAJQJDPPBKAYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS/c1-18(2)29(21-15-13-20(14-16-21)25-19-9-5-3-6-10-19)23(31)17-32-24-26-27-28-30(24)22-11-7-4-8-12-22/h3-16,18,25H,17H2,1-2H3.
What are the key properties of N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide?
N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 444.56 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 16539690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).