N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C17H25N5OS — CID 42887843

IUPACN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)c1ccc(C(NC(=O)CSc2nnnn2C)C(C)C)cc1
InChIInChI=1S/C17H25N5OS/c1-11(2)13-6-8-14(9-7-13)16(12(3)4)18-15(23)10-24-17-19-20-21-22(17)5/h6-9,11-12,16H,10H2,1-5H3,(H,18,23)
InChIKeySSULZAKVYWVYRH-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.94
Rot. Bonds7

About N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 42887843) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID42887843
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)c1ccc(C(NC(=O)CSc2nnnn2C)C(C)C)cc1
InChIInChI=1S/C17H25N5OS/c1-11(2)13-6-8-14(9-7-13)16(12(3)4)18-15(23)10-24-17-19-20-21-22(17)5/h6-9,11-12,16H,10H2,1-5H3,(H,18,23)
InChIKeySSULZAKVYWVYRH-UHFFFAOYSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594570
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46672571
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 51287408
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 8569746
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17484977
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8873161
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 42884380
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8682684
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 134038165
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 46672088

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 42887843) is N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CC(C)c1ccc(C(NC(=O)CSc2nnnn2C)C(C)C)cc1.
What is the InChIKey of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is SSULZAKVYWVYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-11(2)13-6-8-14(9-7-13)16(12(3)4)18-15(23)10-24-17-19-20-21-22(17)5/h6-9,11-12,16H,10H2,1-5H3,(H,18,23).
What are the key properties of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 347.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 42887843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).