(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

C20H28N6O3S2 — CID 25437973

IUPAC(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESC[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H28N6O3S2/c1-15(30-20-22-23-24-26(20)17-7-3-4-8-17)19(27)21-16-9-11-18(12-10-16)31(28,29)25-13-5-2-6-14-25/h9-12,15,17H,2-8,13-14H2,1H3,(H,21,27)/t15-/m1/s1
InChIKeyZCMDDCMFXYEIGU-OAHLLOKOSA-N
MW464.62 g/mol
LogP3.08
Rot. Bonds7

About (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 25437973) has the molecular formula C20H28N6O3S2 and a molecular weight of 464.62 g/mol. Its IUPAC name is (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID25437973
Molecular FormulaC20H28N6O3S2
Molecular Weight464.62 g/mol
Exact Mass464.17
IUPAC Name(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESC[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H28N6O3S2/c1-15(30-20-22-23-24-26(20)17-7-3-4-8-17)19(27)21-16-9-11-18(12-10-16)31(28,29)25-13-5-2-6-14-25/h9-12,15,17H,2-8,13-14H2,1H3,(H,21,27)/t15-/m1/s1
InChIKeyZCMDDCMFXYEIGU-OAHLLOKOSA-N
XLogP3.08
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 41190354
(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27096067
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41183132
(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylsulfonylphenoxy)phenyl]propanamide
CID 97316941
(2S)-2-cyclopentylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7825678
N-(3-chloro-4-methoxyphenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 24519135
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 40529308
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)propanamide
CID 51258543
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 42975704
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 46639260
(2S)-N-(4-morpholin-4-ylsulfonylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 41077135
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-cyclopropylpropanamide
CID 26012514

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 25437973) is (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is ZCMDDCMFXYEIGU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N6O3S2/c1-15(30-20-22-23-24-26(20)17-7-3-4-8-17)19(27)21-16-9-11-18(12-10-16)31(28,29)25-13-5-2-6-14-25/h9-12,15,17H,2-8,13-14H2,1H3,(H,21,27)/t15-/m1/s1.
What are the key properties of (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 464.62 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 25437973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).