N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide

C37H35FN4O3S — CID 21358990

IUPACN-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ncc(CN(C(=O)C2CC2c2ccccc2)c2ccc3c(c2)C(NS(=O)(=O)c2ccc(F)cc2)CCC3)n1-c1ccccc1
InChIInChI=1S/C37H35FN4O3S/c1-25-39-23-31(42(25)29-12-6-3-7-13-29)24-41(37(43)35-22-33(35)26-9-4-2-5-10-26)30-18-15-27-11-8-14-36(34(27)21-30)40-46(44,45)32-19-16-28(38)17-20-32/h2-7,9-10,12-13,15-21,23,33,35-36,40H,8,11,14,22,24H2,1H3
InChIKeyRXQZYVSDMXUHSC-UHFFFAOYSA-N
MW634.78 g/mol
LogP7.01
Rot. Bonds9

About N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide

N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 21358990) has the molecular formula C37H35FN4O3S and a molecular weight of 634.78 g/mol. Its IUPAC name is N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID21358990
Molecular FormulaC37H35FN4O3S
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC NameN-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ncc(CN(C(=O)C2CC2c2ccccc2)c2ccc3c(c2)C(NS(=O)(=O)c2ccc(F)cc2)CCC3)n1-c1ccccc1
InChIInChI=1S/C37H35FN4O3S/c1-25-39-23-31(42(25)29-12-6-3-7-13-29)24-41(37(43)35-22-33(35)26-9-4-2-5-10-26)30-18-15-27-11-8-14-36(34(27)21-30)40-46(44,45)32-19-16-28(38)17-20-32/h2-7,9-10,12-13,15-21,23,33,35-36,40H,8,11,14,22,24H2,1H3
InChIKeyRXQZYVSDMXUHSC-UHFFFAOYSA-N
XLogP7.01
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 21358990) is N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide is Cc1ncc(CN(C(=O)C2CC2c2ccccc2)c2ccc3c(c2)C(NS(=O)(=O)c2ccc(F)cc2)CCC3)n1-c1ccccc1.
What is the InChIKey of N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is RXQZYVSDMXUHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35FN4O3S/c1-25-39-23-31(42(25)29-12-6-3-7-13-29)24-41(37(43)35-22-33(35)26-9-4-2-5-10-26)30-18-15-27-11-8-14-36(34(27)21-30)40-46(44,45)32-19-16-28(38)17-20-32/h2-7,9-10,12-13,15-21,23,33,35-36,40H,8,11,14,22,24H2,1H3.
What are the key properties of N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 634.78 g/mol, XLogP of 7.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 21358990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).