N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C21H26N6OS — CID 2615999

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCN(c1ccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)cc1)C(C)C
InChIInChI=1S/C21H26N6OS/c1-5-26(15(2)3)18-12-8-17(9-13-18)22-20(28)14-29-21-23-24-25-27(21)19-10-6-16(4)7-11-19/h6-13,15H,5,14H2,1-4H3,(H,22,28)
InChIKeyYWYVVSDEUZXQFL-UHFFFAOYSA-N
MW410.55 g/mol
LogP3.94
Rot. Bonds8

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2615999) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2615999
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCN(c1ccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)cc1)C(C)C
InChIInChI=1S/C21H26N6OS/c1-5-26(15(2)3)18-12-8-17(9-13-18)22-20(28)14-29-21-23-24-25-27(21)19-10-6-16(4)7-11-19/h6-13,15H,5,14H2,1-4H3,(H,22,28)
InChIKeyYWYVVSDEUZXQFL-UHFFFAOYSA-N
XLogP3.94
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 55462827
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1455250
2-[methyl-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide
CID 2615623
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 4305589
N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616969
N-(3-chloro-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2595811
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 1175731
N-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7713576
N-[4-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 43811703
N-[4-(diethylsulfamoyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2109822

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2615999) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is CCN(c1ccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is YWYVVSDEUZXQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-5-26(15(2)3)18-12-8-17(9-13-18)22-20(28)14-29-21-23-24-25-27(21)19-10-6-16(4)7-11-19/h6-13,15H,5,14H2,1-4H3,(H,22,28).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 410.55 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2615999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).