N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide

C14H19N5OS — CID 38842731

IUPACN-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCCC(C)C)c1
InChIInChI=1S/C14H19N5OS/c1-10(2)7-8-21-14-16-17-18-19(14)13-6-4-5-12(9-13)15-11(3)20/h4-6,9-10H,7-8H2,1-3H3,(H,15,20)
InChIKeyNLOGNQUPMQRLQN-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.76
Rot. Bonds6

About N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide

N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide (PubChem CID 38842731) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
PubChem CID38842731
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCCC(C)C)c1
InChIInChI=1S/C14H19N5OS/c1-10(2)7-8-21-14-16-17-18-19(14)13-6-4-5-12(9-13)15-11(3)20/h4-6,9-10H,7-8H2,1-3H3,(H,15,20)
InChIKeyNLOGNQUPMQRLQN-UHFFFAOYSA-N
XLogP2.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-(2-phenoxyethylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 46572679
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-heptan-2-ylacetamide
CID 55572394
N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572642
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 46572572
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55571388
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-tert-butylpropanamide
CID 46572655
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 46572745
3-[5-[2-(benzenesulfonyl)ethylsulfanyl]tetrazol-1-yl]-N-prop-1-en-2-ylaniline
CID 18344480
N-[3-[5-[2-(2-bromo-4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572571
N-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 39074837
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 46572602
N-[3-[5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572672

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide (CID 38842731) is N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nnnc2SCCC(C)C)c1.
What is the InChIKey of N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide?
The InChIKey is NLOGNQUPMQRLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10(2)7-8-21-14-16-17-18-19(14)13-6-4-5-12(9-13)15-11(3)20/h4-6,9-10H,7-8H2,1-3H3,(H,15,20).
What are the key properties of N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide?
N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide has a molecular weight of 305.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 38842731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).