(2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide

C21H24N6O3S — CID 71829057

IUPAC(2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C21H24N6O3S/c28-21(20(27-16-23-24-25-27)18-6-2-1-3-7-18)22-13-12-17-8-10-19(11-9-17)31(29,30)26-14-4-5-15-26/h1-3,6-11,16,20H,4-5,12-15H2,(H,22,28)/t20-/m0/s1
InChIKeyGHQLHODCTKFCCE-FQEVSTJZSA-N
MW440.53 g/mol
LogP1.41
Rot. Bonds8

About (2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide

(2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 71829057) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID71829057
Molecular FormulaC21H24N6O3S
Molecular Weight440.53 g/mol
Exact Mass440.16
IUPAC Name(2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C21H24N6O3S/c28-21(20(27-16-23-24-25-27)18-6-2-1-3-7-18)22-13-12-17-8-10-19(11-9-17)31(29,30)26-14-4-5-15-26/h1-3,6-11,16,20H,4-5,12-15H2,(H,22,28)/t20-/m0/s1
InChIKeyGHQLHODCTKFCCE-FQEVSTJZSA-N
XLogP1.41
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71829684
3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796384
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71701108
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97266729
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71709339
N'-butan-2-yl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 43888275
3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125401
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17468734
N'-(pyridin-3-ylmethyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide (CID 71829057) is (2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide is O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is GHQLHODCTKFCCE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N6O3S/c28-21(20(27-16-23-24-25-27)18-6-2-1-3-7-18)22-13-12-17-8-10-19(11-9-17)31(29,30)26-14-4-5-15-26/h1-3,6-11,16,20H,4-5,12-15H2,(H,22,28)/t20-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
(2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 440.53 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71829057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).