N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide

C11H20N6O2S — CID 42923555

IUPACN-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCCNC(=O)NC(=O)C(C)Sc1nnnn1CC(C)C
InChIInChI=1S/C11H20N6O2S/c1-5-12-10(19)13-9(18)8(4)20-11-14-15-16-17(11)6-7(2)3/h7-8H,5-6H2,1-4H3,(H2,12,13,18,19)
InChIKeyLIQLWRLVOXPJGZ-UHFFFAOYSA-N
MW300.39 g/mol
LogP0.66
Rot. Bonds6

About N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide

N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 42923555) has the molecular formula C11H20N6O2S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID42923555
Molecular FormulaC11H20N6O2S
Molecular Weight300.39 g/mol
Exact Mass300.14
IUPAC NameN-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCCNC(=O)NC(=O)C(C)Sc1nnnn1CC(C)C
InChIInChI=1S/C11H20N6O2S/c1-5-12-10(19)13-9(18)8(4)20-11-14-15-16-17(11)6-7(2)3/h7-8H,5-6H2,1-4H3,(H2,12,13,18,19)
InChIKeyLIQLWRLVOXPJGZ-UHFFFAOYSA-N
XLogP0.66
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 41236820
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51270313
propyl (2S)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanoate
CID 95636269
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 51270256
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 60732683
N-(4-acetylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 51270221
N-[4-(difluoromethylsulfanyl)phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 42923560
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 51270251
(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 32709495
N-(ethylcarbamoyl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 43030336
N-[2-(difluoromethoxy)phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 51270329
N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 46648435

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide (CID 42923555) is N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide is CCNC(=O)NC(=O)C(C)Sc1nnnn1CC(C)C.
What is the InChIKey of N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is LIQLWRLVOXPJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2S/c1-5-12-10(19)13-9(18)8(4)20-11-14-15-16-17(11)6-7(2)3/h7-8H,5-6H2,1-4H3,(H2,12,13,18,19).
What are the key properties of N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide?
N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 300.39 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 42923555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).