(2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide

C13H17N5OS — CID 2673778

IUPAC(2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C13H17N5OS/c1-4-18(11-8-6-5-7-9-11)12(19)10(2)20-13-14-15-16-17(13)3/h5-10H,4H2,1-3H3/t10-/m1/s1
InChIKeyLNIKJBIGFKFURB-SNVBAGLBSA-N
MW291.38 g/mol
LogP1.74
Rot. Bonds5

About (2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide

(2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide (PubChem CID 2673778) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is (2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
PubChem CID2673778
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name(2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C13H17N5OS/c1-4-18(11-8-6-5-7-9-11)12(19)10(2)20-13-14-15-16-17(13)3/h5-10H,4H2,1-3H3/t10-/m1/s1
InChIKeyLNIKJBIGFKFURB-SNVBAGLBSA-N
XLogP1.74
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 51258457
(2R)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 7365414
(2S)-N-(2-cyanoethyl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 7786223
N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 60598100
N-ethyl-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
CID 78759546
N-ethyl-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
CID 51300392
(2R)-N-ethyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 9329810
(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7042204
(2R)-N-(2-cyanoethyl)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762387
2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 112778882
N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 84602769
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-phenylpropanamide
CID 2673747

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
The IUPAC name of (2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide (CID 2673778) is (2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for (2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide is CCN(C(=O)[C@@H](C)Sc1nnnn1C)c1ccccc1.
What is the InChIKey of (2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
The InChIKey is LNIKJBIGFKFURB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-4-18(11-8-6-5-7-9-11)12(19)10(2)20-13-14-15-16-17(13)3/h5-10H,4H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide?
(2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide has a molecular weight of 291.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 2673778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).