2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide

C12H14ClN5OS — CID 959578

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN5OS/c1-2-7-18-16-12(15-17-18)14-11(19)8-20-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16,19)
InChIKeyYZJVKLPTIFEYFV-UHFFFAOYSA-N
MW311.80 g/mol
LogP2.47
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 959578) has the molecular formula C12H14ClN5OS and a molecular weight of 311.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID959578
Molecular FormulaC12H14ClN5OS
Molecular Weight311.80 g/mol
Exact Mass311.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN5OS/c1-2-7-18-16-12(15-17-18)14-11(19)8-20-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16,19)
InChIKeyYZJVKLPTIFEYFV-UHFFFAOYSA-N
XLogP2.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 91840002
2-(4-chlorophenyl)sulfanyl-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162631847
N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 9185003
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-propyltetrazol-5-yl)acetamide
CID 955478
2-(4-chlorophenyl)sulfanyl-N-(heptan-4-ylideneamino)acetamide
CID 7241820
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254564
2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7704279
2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121
2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 75416497
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide (CID 959578) is 2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is YZJVKLPTIFEYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5OS/c1-2-7-18-16-12(15-17-18)14-11(19)8-20-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 311.80 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 959578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).