(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide

C16H16N6O3S — CID 71828548

IUPAC(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)[C@H](c2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C16H16N6O3S/c17-26(24,25)14-8-6-12(7-9-14)10-18-16(23)15(22-11-19-20-21-22)13-4-2-1-3-5-13/h1-9,11,15H,10H2,(H,18,23)(H2,17,24,25)/t15-/m0/s1
InChIKeyIOAYXOKELFGQOP-HNNXBMFYSA-N
MW372.41 g/mol
LogP0.23
Rot. Bonds6

About (2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide

(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 71828548) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID71828548
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Name(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)[C@H](c2ccccc2)n2cnnn2)cc1
InChIInChI=1S/C16H16N6O3S/c17-26(24,25)14-8-6-12(7-9-14)10-18-16(23)15(22-11-19-20-21-22)13-4-2-1-3-5-13/h1-9,11,15H,10H2,(H,18,23)(H2,17,24,25)/t15-/m0/s1
InChIKeyIOAYXOKELFGQOP-HNNXBMFYSA-N
XLogP0.23
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
(2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71829057
N-[(2-methyl-1H-indol-5-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91777982
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91789332
(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71829715
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 95394930
2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4878395
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4557317
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 90652631

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide (CID 71828548) is (2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide is NS(=O)(=O)c1ccc(CNC(=O)[C@H](c2ccccc2)n2cnnn2)cc1.
What is the InChIKey of (2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is IOAYXOKELFGQOP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c17-26(24,25)14-8-6-12(7-9-14)10-18-16(23)15(22-11-19-20-21-22)13-4-2-1-3-5-13/h1-9,11,15H,10H2,(H,18,23)(H2,17,24,25)/t15-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 372.41 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71828548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).