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

C18H23N5O2S — CID 52518791

IUPAC(2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1OC1CCCC1
InChIInChI=1S/C18H23N5O2S/c1-12(26-18-20-21-22-23(18)13-10-11-13)17(24)19-15-8-4-5-9-16(15)25-14-6-2-3-7-14/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H,19,24)/t12-/m0/s1
InChIKeyFENAETBSAQRGKS-LBPRGKRZSA-N
MW373.48 g/mol
LogP3.45
Rot. Bonds7

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

(2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 52518791) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
PubChem CID52518791
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name(2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1OC1CCCC1
InChIInChI=1S/C18H23N5O2S/c1-12(26-18-20-21-22-23(18)13-10-11-13)17(24)19-15-8-4-5-9-16(15)25-14-6-2-3-7-14/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H,19,24)/t12-/m0/s1
InChIKeyFENAETBSAQRGKS-LBPRGKRZSA-N
XLogP3.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(2,3-dichlorophenyl)propanamide
CID 51245048
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51244912
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 51258636
(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27096067
2-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoylamino]-N-(2-phenylethyl)benzamide
CID 55541878
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 46639260
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
CID 26012514
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-phenylpropan-1-one
CID 55441518
(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 27096965
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 46646680

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide (CID 52518791) is (2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide is C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccccc1OC1CCCC1.
What is the InChIKey of (2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is FENAETBSAQRGKS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12(26-18-20-21-22-23(18)13-10-11-13)17(24)19-15-8-4-5-9-16(15)25-14-6-2-3-7-14/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H,19,24)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide?
(2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 373.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyclopentyloxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 52518791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).