N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

C11H12ClN5OS — CID 17387870

IUPACN-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCn1nnnc1SCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H12ClN5OS/c1-17-11(14-15-16-17)19-7-6-10(18)13-9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3,(H,13,18)
InChIKeyYDVLPMLSMCHLJO-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.98
Rot. Bonds5

About N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 17387870) has the molecular formula C11H12ClN5OS and a molecular weight of 297.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID17387870
Molecular FormulaC11H12ClN5OS
Molecular Weight297.77 g/mol
Exact Mass297.05
IUPAC NameN-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCn1nnnc1SCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H12ClN5OS/c1-17-11(14-15-16-17)19-7-6-10(18)13-9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3,(H,13,18)
InChIKeyYDVLPMLSMCHLJO-UHFFFAOYSA-N
XLogP1.98
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387877
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
CID 4584339
N-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 26428369
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 47318483
N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800
3-(1-methyltetrazol-5-yl)sulfanyl-N'-(2,4,6-trichlorophenyl)propanehydrazide
CID 60539641
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 949151
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
3-(1-methyltetrazol-5-yl)sulfanyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 42930160
N-(2-chlorophenyl)-3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 17136630
3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide
CID 94645213

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 17387870) is N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is Cn1nnnc1SCCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is YDVLPMLSMCHLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5OS/c1-17-11(14-15-16-17)19-7-6-10(18)13-9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3,(H,13,18).
What are the key properties of N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 297.77 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 17387870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).