N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide

C19H20N6O3S — CID 55846777

IUPACN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1-n1cnnn1
InChIInChI=1S/C19H20N6O3S/c1-13-10-15(4-9-18(13)25-12-21-23-24-25)19(26)20-11-14-2-7-17(8-3-14)29(27,28)22-16-5-6-16/h2-4,7-10,12,16,22H,5-6,11H2,1H3,(H,20,26)
InChIKeyKKJNMLNXTGJBLA-UHFFFAOYSA-N
MW412.48 g/mol
LogP1.34
Rot. Bonds7

About N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 55846777) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID55846777
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1-n1cnnn1
InChIInChI=1S/C19H20N6O3S/c1-13-10-15(4-9-18(13)25-12-21-23-24-25)19(26)20-11-14-2-7-17(8-3-14)29(27,28)22-16-5-6-16/h2-4,7-10,12,16,22H,5-6,11H2,1H3,(H,20,26)
InChIKeyKKJNMLNXTGJBLA-UHFFFAOYSA-N
XLogP1.34
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55847022
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55845607
4-cyclohexyl-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]benzamide
CID 52685874
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55847017
4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587606
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
N-(1H-indol-2-ylmethyl)-3-methyl-4-(tetrazol-1-yl)benzamide
CID 51099931
3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 46408400
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 47036805
1-[(4-methylphenyl)methyl]-3-[4-[(4-methylphenyl)sulfonylamino]cyclohexyl]urea
CID 25041483

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide (CID 55846777) is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)NCc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1-n1cnnn1.
What is the InChIKey of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is KKJNMLNXTGJBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-13-10-15(4-9-18(13)25-12-21-23-24-25)19(26)20-11-14-2-7-17(8-3-14)29(27,28)22-16-5-6-16/h2-4,7-10,12,16,22H,5-6,11H2,1H3,(H,20,26).
What are the key properties of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 412.48 g/mol, XLogP of 1.34, 7 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]-3-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55846777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).