2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

C23H29N7O4S — CID 55565210

IUPAC2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)c1
InChIInChI=1S/C23H29N7O4S/c1-4-29(5-2)35(32,33)19-11-12-21(34-3)20(14-19)25-22(31)15-24-17-8-6-7-16(13-17)23-26-27-28-30(23)18-9-10-18/h6-8,11-14,18,24H,4-5,9-10,15H2,1-3H3,(H,25,31)
InChIKeyJHKDOFXDOPTPMK-UHFFFAOYSA-N
MW499.60 g/mol
LogP2.76
Rot. Bonds11

About 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (PubChem CID 55565210) has the molecular formula C23H29N7O4S and a molecular weight of 499.60 g/mol. Its IUPAC name is 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
PubChem CID55565210
Molecular FormulaC23H29N7O4S
Molecular Weight499.60 g/mol
Exact Mass499.20
IUPAC Name2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)c1
InChIInChI=1S/C23H29N7O4S/c1-4-29(5-2)35(32,33)19-11-12-21(34-3)20(14-19)25-22(31)15-24-17-8-6-7-16(13-17)23-26-27-28-30(23)18-9-10-18/h6-8,11-14,18,24H,4-5,9-10,15H2,1-3H3,(H,25,31)
InChIKeyJHKDOFXDOPTPMK-UHFFFAOYSA-N
XLogP2.76
TPSA131.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
CID 55565798
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 25409083
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 55560646
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 55601078
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
2-[3-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 29327817
2-[4-(diethylsulfamoyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 9084037
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 41172918
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (CID 55565210) is 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)c1.
What is the InChIKey of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The InChIKey is JHKDOFXDOPTPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O4S/c1-4-29(5-2)35(32,33)19-11-12-21(34-3)20(14-19)25-22(31)15-24-17-8-6-7-16(13-17)23-26-27-28-30(23)18-9-10-18/h6-8,11-14,18,24H,4-5,9-10,15H2,1-3H3,(H,25,31).
What are the key properties of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide has a molecular weight of 499.60 g/mol, XLogP of 2.76, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 55565210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).