N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

C16H23N5O2S — CID 51095217

IUPACN-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1ccc(CCC(C)NC(=O)CCSc2nnnn2C)cc1
InChIInChI=1S/C16H23N5O2S/c1-12(4-5-13-6-8-14(23-3)9-7-13)17-15(22)10-11-24-16-18-19-20-21(16)2/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,22)
InChIKeyQATYYCUSVAPZBB-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.84
Rot. Bonds9

About N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 51095217) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID51095217
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1ccc(CCC(C)NC(=O)CCSc2nnnn2C)cc1
InChIInChI=1S/C16H23N5O2S/c1-12(4-5-13-6-8-14(23-3)9-7-13)17-15(22)10-11-24-16-18-19-20-21(16)2/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,22)
InChIKeyQATYYCUSVAPZBB-UHFFFAOYSA-N
XLogP1.84
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 16539106
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 134038165
(2R)-N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 2080305
methyl (3S)-3-[3-(1-methyltetrazol-5-yl)sulfanylpropanoylamino]-3-phenylpropanoate
CID 94645364
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 47318483
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 2696351
N-[(4-methoxyphenyl)methoxy]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 88786569
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 78760300
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 46828934
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 51095217) is N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is COc1ccc(CCC(C)NC(=O)CCSc2nnnn2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is QATYYCUSVAPZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12(4-5-13-6-8-14(23-3)9-7-13)17-15(22)10-11-24-16-18-19-20-21(16)2/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,22).
What are the key properties of N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 349.46 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 51095217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).