N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

C13H17N5O2S — CID 17387877

IUPACN-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CCSc1nnnn1C
InChIInChI=1S/C13H17N5O2S/c1-9-4-5-11(20-3)10(8-9)14-12(19)6-7-21-13-15-16-17-18(13)2/h4-5,8H,6-7H2,1-3H3,(H,14,19)
InChIKeyJBDWCLONBMVTPI-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.65
Rot. Bonds6

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

N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 17387877) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID17387877
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1ccc(C)cc1NC(=O)CCSc1nnnn1C
InChIInChI=1S/C13H17N5O2S/c1-9-4-5-11(20-3)10(8-9)14-12(19)6-7-21-13-15-16-17-18(13)2/h4-5,8H,6-7H2,1-3H3,(H,14,19)
InChIKeyJBDWCLONBMVTPI-UHFFFAOYSA-N
XLogP1.65
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 55991510
N-(2-methoxy-5-methylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36794853
(2R)-N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 2460572
methyl 2-[3-methyl-4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoylamino]phenoxy]acetate
CID 55979185
N-(2,4-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1081017
N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387870
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
methyl 4-[5-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
CID 1175411
N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2385810
N'-(2,4-dimethylphenyl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propanediamide
CID 50972244
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 17387877) is N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is COc1ccc(C)cc1NC(=O)CCSc1nnnn1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is JBDWCLONBMVTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-9-4-5-11(20-3)10(8-9)14-12(19)6-7-21-13-15-16-17-18(13)2/h4-5,8H,6-7H2,1-3H3,(H,14,19).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 307.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 17387877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).