(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide

C15H18N6O2S — CID 27097053

IUPAC(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1C1CC1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C15H18N6O2S/c1-10(24-15-18-19-20-21(15)12-7-8-12)13(22)17-14(23)16-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H2,16,17,22,23)/t10-/m0/s1
InChIKeyJXNSTSFUAGWLPD-JTQLQIEISA-N
MW346.42 g/mol
LogP1.51
Rot. Bonds6

About (2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide

(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 27097053) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is (2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
PubChem CID27097053
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1C1CC1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C15H18N6O2S/c1-10(24-15-18-19-20-21(15)12-7-8-12)13(22)17-14(23)16-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H2,16,17,22,23)/t10-/m0/s1
InChIKeyJXNSTSFUAGWLPD-JTQLQIEISA-N
XLogP1.51
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 27096965
(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 40804725
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 55974390
2-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoylamino]-N-(2-phenylethyl)benzamide
CID 55541878
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145690
(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7042204
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24519960
N-(2-cyanophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 46642061
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(6-phenylmethoxy-3-pyridinyl)propanamide
CID 55993734
N-(benzylcarbamoyl)-2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 43014561
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 51097969
(2R)-1-(4-benzylpiperidin-1-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropan-1-one
CID 27047728

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide (CID 27097053) is (2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide is C[C@H](Sc1nnnn1C1CC1)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is JXNSTSFUAGWLPD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-10(24-15-18-19-20-21(15)12-7-8-12)13(22)17-14(23)16-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H2,16,17,22,23)/t10-/m0/s1.
What are the key properties of (2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 346.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 27097053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).