(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide

C15H21N5OS — CID 40751028

IUPAC(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
SMILESCCC[C@@H](NC(=O)[C@@H](C)Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-4-8-13(12-9-6-5-7-10-12)16-14(21)11(2)22-15-17-18-19-20(15)3/h5-7,9-11,13H,4,8H2,1-3H3,(H,16,21)/t11-,13-/m1/s1
InChIKeyUJVPMIOHLQDVQQ-DGCLKSJQSA-N
MW319.43 g/mol
LogP2.35
Rot. Bonds7

About (2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide

(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide (PubChem CID 40751028) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is (2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
PubChem CID40751028
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
SMILESCCC[C@@H](NC(=O)[C@@H](C)Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-4-8-13(12-9-6-5-7-10-12)16-14(21)11(2)22-15-17-18-19-20(15)3/h5-7,9-11,13H,4,8H2,1-3H3,(H,16,21)/t11-,13-/m1/s1
InChIKeyUJVPMIOHLQDVQQ-DGCLKSJQSA-N
XLogP2.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51183645
(2S)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 8799309
(2R)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylbutyl]propanamide
CID 29440459
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide
CID 46661201
2-[[4-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide
CID 55366326
(2S)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 9457472
(2S)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9488023
(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7042204
(2S)-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 39816503
N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46810322
(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 29440220
N'-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]benzohydrazide
CID 8873153

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide?
The IUPAC name of (2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide (CID 40751028) is (2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide.
What is the SMILES notation for (2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide?
The canonical SMILES for (2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide is CCC[C@@H](NC(=O)[C@@H](C)Sc1nnnn1C)c1ccccc1.
What is the InChIKey of (2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide?
The InChIKey is UJVPMIOHLQDVQQ-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-4-8-13(12-9-6-5-7-10-12)16-14(21)11(2)22-15-17-18-19-20(15)3/h5-7,9-11,13H,4,8H2,1-3H3,(H,16,21)/t11-,13-/m1/s1.
What are the key properties of (2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide?
(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide has a molecular weight of 319.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide is sourced from PubChem (CID 40751028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).