2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide

C14H19N5OS — CID 2999176

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CSc1nnnn1C
InChIInChI=1S/C14H19N5OS/c1-11(8-9-12-6-4-3-5-7-12)15-13(20)10-21-14-16-17-18-19(14)2/h3-7,11H,8-10H2,1-2H3,(H,15,20)
InChIKeyFHGKTCFEQFRUPE-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.44
Rot. Bonds7

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 2999176) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
PubChem CID2999176
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CSc1nnnn1C
InChIInChI=1S/C14H19N5OS/c1-11(8-9-12-6-4-3-5-7-12)15-13(20)10-21-14-16-17-18-19(14)2/h3-7,11H,8-10H2,1-2H3,(H,15,20)
InChIKeyFHGKTCFEQFRUPE-UHFFFAOYSA-N
XLogP1.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)thio]acetamide
CID 2823496
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 4688103
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 654690
2-(4-methyl(1,2,4-triazol-3-ylthio))-N-benzylacetamide
CID 855554
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2096429
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2362783
N-(3-phenylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2392214
N-Benzyl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212943
2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4875437
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4878952
N-Benzyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649791
N-(benzylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2091512

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide (CID 2999176) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CSc1nnnn1C.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is FHGKTCFEQFRUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-11(8-9-12-6-4-3-5-7-12)15-13(20)10-21-14-16-17-18-19(14)2/h3-7,11H,8-10H2,1-2H3,(H,15,20).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 2999176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).