N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide

C14H18N6O2S — CID 46682398

IUPACN-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1C(C)C)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H18N6O2S/c1-9(2)20-14(17-18-19-20)23-10(3)12(21)16-13(22)15-11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,15,16,21,22)
InChIKeyCKUBNIVZPVPMRW-UHFFFAOYSA-N
MW334.41 g/mol
LogP2.08
Rot. Bonds5

About N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide

N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide (PubChem CID 46682398) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
PubChem CID46682398
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC NameN-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1C(C)C)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H18N6O2S/c1-9(2)20-14(17-18-19-20)23-10(3)12(21)16-13(22)15-11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,15,16,21,22)
InChIKeyCKUBNIVZPVPMRW-UHFFFAOYSA-N
XLogP2.08
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 40804725
N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 51245310
(2S)-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 26006001
(2R)-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 26006002
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
(2R)-N-[(2-fluorophenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 32709626
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
2-(4-bromophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569774
(2S)-N-tert-butyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 41273581
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 9274512
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 51480183
N-(phenylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 24571264

Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide (CID 46682398) is N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1C(C)C)C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is CKUBNIVZPVPMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-9(2)20-14(17-18-19-20)23-10(3)12(21)16-13(22)15-11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,15,16,21,22).
What are the key properties of N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide?
N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 334.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 46682398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).