N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C20H23N5OS — CID 51183645

IUPACN-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCCCC(NC(=O)C(C)Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N5OS/c1-3-10-18(16-11-6-4-7-12-16)21-19(26)15(2)27-20-22-23-24-25(20)17-13-8-5-9-14-17/h4-9,11-15,18H,3,10H2,1-2H3,(H,21,26)
InChIKeyWPUBNOKQTMKLBN-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.80
Rot. Bonds8

About N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 51183645) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID51183645
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCCCC(NC(=O)C(C)Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N5OS/c1-3-10-18(16-11-6-4-7-12-16)21-19(26)15(2)27-20-22-23-24-25(20)17-13-8-5-9-14-17/h4-9,11-15,18H,3,10H2,1-2H3,(H,21,26)
InChIKeyWPUBNOKQTMKLBN-UHFFFAOYSA-N
XLogP3.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 40751028
(2S)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 8799309
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 134037851
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 9274512
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
(2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 40941826
(2R)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylbutyl]propanamide
CID 29440459
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylbutyl]acetamide
CID 7563038
2-[[4-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide
CID 55366326
(2S)-N-(2-methoxyethyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274391
(2S)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9488023

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 51183645) is N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is CCCC(NC(=O)C(C)Sc1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is WPUBNOKQTMKLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-3-10-18(16-11-6-4-7-12-16)21-19(26)15(2)27-20-22-23-24-25(20)17-13-8-5-9-14-17/h4-9,11-15,18H,3,10H2,1-2H3,(H,21,26).
What are the key properties of N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 381.51 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 51183645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).