N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide

C15H18ClN5OS — CID 52546923

IUPACN-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
SMILESO=C(CCSc1nnnn1C1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN5OS/c16-11-4-3-5-12(10-11)17-14(22)8-9-23-15-18-19-20-21(15)13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,17,22)
InChIKeyLKIZEGPCKKBDLX-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.56
Rot. Bonds6

About N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide

N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 52546923) has the molecular formula C15H18ClN5OS and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
PubChem CID52546923
Molecular FormulaC15H18ClN5OS
Molecular Weight351.86 g/mol
Exact Mass351.09
IUPAC NameN-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
SMILESO=C(CCSc1nnnn1C1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN5OS/c16-11-4-3-5-12(10-11)17-14(22)8-9-23-15-18-19-20-21(15)13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,17,22)
InChIKeyLKIZEGPCKKBDLX-UHFFFAOYSA-N
XLogP3.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 46403946
N-(3-chlorophenyl)-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 52546871
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 46670710
N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 51244889
1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295842
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 56536012
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
CID 115659166
N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 47134608
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 134004627
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 51244846
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094013

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide (CID 52546923) is N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide is O=C(CCSc1nnnn1C1CCCC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is LKIZEGPCKKBDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5OS/c16-11-4-3-5-12(10-11)17-14(22)8-9-23-15-18-19-20-21(15)13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,17,22).
What are the key properties of N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide?
N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 351.86 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 52546923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).