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

C19H20N6O3S — CID 55847022

IUPACN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H20N6O3S/c26-19(11-14-1-7-17(8-2-14)25-13-21-23-24-25)20-12-15-3-9-18(10-4-15)29(27,28)22-16-5-6-16/h1-4,7-10,13,16,22H,5-6,11-12H2,(H,20,26)
InChIKeyUIHUGOKODCEVPG-UHFFFAOYSA-N
MW412.48 g/mol
LogP0.96
Rot. Bonds8

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

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55847022) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55847022
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H20N6O3S/c26-19(11-14-1-7-17(8-2-14)25-13-21-23-24-25)20-12-15-3-9-18(10-4-15)29(27,28)22-16-5-6-16/h1-4,7-10,13,16,22H,5-6,11-12H2,(H,20,26)
InChIKeyUIHUGOKODCEVPG-UHFFFAOYSA-N
XLogP0.96
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55846777
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631991
N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide
CID 167935083
2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55601487
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 95324683
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52852200
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55656209
N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
CID 78858542
N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 97081592

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55847022) is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is UIHUGOKODCEVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c26-19(11-14-1-7-17(8-2-14)25-13-21-23-24-25)20-12-15-3-9-18(10-4-15)29(27,28)22-16-5-6-16/h1-4,7-10,13,16,22H,5-6,11-12H2,(H,20,26).
What are the key properties of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 412.48 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55847022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).