(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

C19H20N6O3S — CID 75488929

IUPAC(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C19H20N6O3S/c26-19(18(24-14-20-22-23-24)13-15-5-2-1-3-6-15)21-16-7-9-17(10-8-16)25-11-4-12-29(25,27)28/h1-3,5-10,14,18H,4,11-13H2,(H,21,26)/t18-/m0/s1
InChIKeyLIMYPWUQIVJJHK-SFHVURJKSA-N
MW412.48 g/mol
LogP1.64
Rot. Bonds6

About (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 75488929) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID75488929
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C19H20N6O3S/c26-19(18(24-14-20-22-23-24)13-15-5-2-1-3-6-15)21-16-7-9-17(10-8-16)25-11-4-12-29(25,27)28/h1-3,5-10,14,18H,4,11-13H2,(H,21,26)/t18-/m0/s1
InChIKeyLIMYPWUQIVJJHK-SFHVURJKSA-N
XLogP1.64
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 24669149
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229017
benzyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
CID 7627537
propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate
CID 74661614
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 171132478
N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-(2-phenylethyl)oxamide
CID 7584678
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 125431705
(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 41096542
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 75488929) is (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is LIMYPWUQIVJJHK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N6O3S/c26-19(18(24-14-20-22-23-24)13-15-5-2-1-3-6-15)21-16-7-9-17(10-8-16)25-11-4-12-29(25,27)28/h1-3,5-10,14,18H,4,11-13H2,(H,21,26)/t18-/m0/s1.
What are the key properties of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 412.48 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 75488929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).