N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H24N6O2S — CID 8804399

IUPACN-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N6O2S/c1-4-5-10-18-16(25)19-15(24)11-26-17-20-21-22-23(17)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19,24,25)
InChIKeyRPEHCKNYFIEMMW-UHFFFAOYSA-N
MW376.49 g/mol
LogP2.50
Rot. Bonds8

About N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 8804399) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID8804399
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC NameN-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N6O2S/c1-4-5-10-18-16(25)19-15(24)11-26-17-20-21-22-23(17)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19,24,25)
InChIKeyRPEHCKNYFIEMMW-UHFFFAOYSA-N
XLogP2.50
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8658997
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 9360238
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8804398
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 2610241
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 16535874
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523762
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
tert-butyl-[3-[[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]propyl]azanium
CID 8804385
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2615618
N-(butylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 46617676
N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7561413
N-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7713576

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 8804399) is N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is CCCCNC(=O)NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is RPEHCKNYFIEMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-4-5-10-18-16(25)19-15(24)11-26-17-20-21-22-23(17)14-8-6-13(7-9-14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19,24,25).
What are the key properties of N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 376.49 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 8804399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).