2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide

C19H18Cl2N6OS — CID 60591052

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1
InChIInChI=1S/C19H18Cl2N6OS/c20-16-7-4-13(9-17(16)21)10-26(11-14-3-1-2-8-22-14)18(28)12-29-19-23-24-25-27(19)15-5-6-15/h1-4,7-9,15H,5-6,10-12H2
InChIKeyYECFTYVIOJGKEX-UHFFFAOYSA-N
MW449.37 g/mol
LogP4.03
Rot. Bonds8

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 60591052) has the molecular formula C19H18Cl2N6OS and a molecular weight of 449.37 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID60591052
Molecular FormulaC19H18Cl2N6OS
Molecular Weight449.37 g/mol
Exact Mass448.06
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1
InChIInChI=1S/C19H18Cl2N6OS/c20-16-7-4-13(9-17(16)21)10-26(11-14-3-1-2-8-22-14)18(28)12-29-19-23-24-25-27(19)15-5-6-15/h1-4,7-9,15H,5-6,10-12H2
InChIKeyYECFTYVIOJGKEX-UHFFFAOYSA-N
XLogP4.03
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide with MolForge

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Related Compounds

1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole
CID 47124307
N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 154862277
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 31821740
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,5-dichlorophenyl)ethanone
CID 43231253
N-cyclopropyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 39639775
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone
CID 9473318
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 24522843
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 51089353
N-[(2-chlorophenyl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244952
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 43053428
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-ethylamino]acetic acid
CID 54900172
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 39681179

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide (CID 60591052) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CSc1nnnn1C1CC1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is YECFTYVIOJGKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6OS/c20-16-7-4-13(9-17(16)21)10-26(11-14-3-1-2-8-22-14)18(28)12-29-19-23-24-25-27(19)15-5-6-15/h1-4,7-9,15H,5-6,10-12H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 449.37 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 60591052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).