N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide

C21H24N4O3S2 — CID 166223333

IUPACN-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide
SMILESCCn1ncc2c1CCCC2NC(=O)c1cc(S(=O)(=O)NC)ccc1-c1cccs1
InChIInChI=1S/C21H24N4O3S2/c1-3-25-19-7-4-6-18(17(19)13-23-25)24-21(26)16-12-14(30(27,28)22-2)9-10-15(16)20-8-5-11-29-20/h5,8-13,18,22H,3-4,6-7H2,1-2H3,(H,24,26)
InChIKeyCQLWZJLVGRPNRQ-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.35
Rot. Bonds6

About N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide

N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide (PubChem CID 166223333) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide
PubChem CID166223333
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC NameN-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide
SMILESCCn1ncc2c1CCCC2NC(=O)c1cc(S(=O)(=O)NC)ccc1-c1cccs1
InChIInChI=1S/C21H24N4O3S2/c1-3-25-19-7-4-6-18(17(19)13-23-25)24-21(26)16-12-14(30(27,28)22-2)9-10-15(16)20-8-5-11-29-20/h5,8-13,18,22H,3-4,6-7H2,1-2H3,(H,24,26)
InChIKeyCQLWZJLVGRPNRQ-UHFFFAOYSA-N
XLogP3.35
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55622374
N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
CID 136554535
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 167879462
4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 65358960
3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 95134232
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384385
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 51966933
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55637344

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide?
The IUPAC name of N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide (CID 166223333) is N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide.
What is the SMILES notation for N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide?
The canonical SMILES for N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide is CCn1ncc2c1CCCC2NC(=O)c1cc(S(=O)(=O)NC)ccc1-c1cccs1.
What is the InChIKey of N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide?
The InChIKey is CQLWZJLVGRPNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-3-25-19-7-4-6-18(17(19)13-23-25)24-21(26)16-12-14(30(27,28)22-2)9-10-15(16)20-8-5-11-29-20/h5,8-13,18,22H,3-4,6-7H2,1-2H3,(H,24,26).
What are the key properties of N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide?
N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide has a molecular weight of 444.58 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(methylsulfamoyl)-2-thiophen-2-ylbenzamide is sourced from PubChem (CID 166223333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).