N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C24H29FN2O3S — CID 55592330

IUPACN-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C2CC2)C2CCCc3ccccc32)c1
InChIInChI=1S/C24H29FN2O3S/c1-3-26(4-2)31(29,30)19-14-15-22(25)21(16-19)24(28)27(18-12-13-18)23-11-7-9-17-8-5-6-10-20(17)23/h5-6,8,10,14-16,18,23H,3-4,7,9,11-13H2,1-2H3
InChIKeyNCZURYXNXMQVIM-UHFFFAOYSA-N
MW444.57 g/mol
LogP4.54
Rot. Bonds7

About N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 55592330) has the molecular formula C24H29FN2O3S and a molecular weight of 444.57 g/mol. Its IUPAC name is N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID55592330
Molecular FormulaC24H29FN2O3S
Molecular Weight444.57 g/mol
Exact Mass444.19
IUPAC NameN-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C2CC2)C2CCCc3ccccc32)c1
InChIInChI=1S/C24H29FN2O3S/c1-3-26(4-2)31(29,30)19-14-15-22(25)21(16-19)24(28)27(18-12-13-18)23-11-7-9-17-8-5-6-10-20(17)23/h5-6,8,10,14-16,18,23H,3-4,7,9,11-13H2,1-2H3
InChIKeyNCZURYXNXMQVIM-UHFFFAOYSA-N
XLogP4.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide
CID 55864349
2-chloro-N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 60522229
N-cyclopropyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55593256
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 51936238
5-(diethylsulfamoyl)-2-methyl-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
CID 51870529
5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
CID 51870530
N-[4-(diethylsulfamoyl)phenyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260706
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 31425302
N-cyclopropyl-2-hydroxy-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 112817478
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119728161
4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450747
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 55592330) is N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C2CC2)C2CCCc3ccccc32)c1.
What is the InChIKey of N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is NCZURYXNXMQVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3S/c1-3-26(4-2)31(29,30)19-14-15-22(25)21(16-19)24(28)27(18-12-13-18)23-11-7-9-17-8-5-6-10-20(17)23/h5-6,8,10,14-16,18,23H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 444.57 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 55592330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).