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

C33H31F2N3O3S — CID 21358970

IUPACN-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1cccc(CN(C(=O)C2CC2c2ccccc2)c2ccc3c(c2)C(NS(=O)(=O)c2ccc(F)cc2F)CCC3)n1
InChIInChI=1S/C33H31F2N3O3S/c1-21-7-5-11-25(36-21)20-38(33(39)29-19-27(29)22-8-3-2-4-9-22)26-15-13-23-10-6-12-31(28(23)18-26)37-42(40,41)32-16-14-24(34)17-30(32)35/h2-5,7-9,11,13-18,27,29,31,37H,6,10,12,19-20H2,1H3
InChIKeyLNQZLSQNHPVACU-UHFFFAOYSA-N
MW587.69 g/mol
LogP6.36
Rot. Bonds8

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

N-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 21358970) has the molecular formula C33H31F2N3O3S and a molecular weight of 587.69 g/mol. Its IUPAC name is N-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID21358970
Molecular FormulaC33H31F2N3O3S
Molecular Weight587.69 g/mol
Exact Mass587.21
IUPAC NameN-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1cccc(CN(C(=O)C2CC2c2ccccc2)c2ccc3c(c2)C(NS(=O)(=O)c2ccc(F)cc2F)CCC3)n1
InChIInChI=1S/C33H31F2N3O3S/c1-21-7-5-11-25(36-21)20-38(33(39)29-19-27(29)22-8-3-2-4-9-22)26-15-13-23-10-6-12-31(28(23)18-26)37-42(40,41)32-16-14-24(34)17-30(32)35/h2-5,7-9,11,13-18,27,29,31,37H,6,10,12,19-20H2,1H3
InChIKeyLNQZLSQNHPVACU-UHFFFAOYSA-N
XLogP6.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.69
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of N-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 21358970) is N-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide is Cc1cccc(CN(C(=O)C2CC2c2ccccc2)c2ccc3c(c2)C(NS(=O)(=O)c2ccc(F)cc2F)CCC3)n1.
What is the InChIKey of N-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is LNQZLSQNHPVACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N3O3S/c1-21-7-5-11-25(36-21)20-38(33(39)29-19-27(29)22-8-3-2-4-9-22)26-15-13-23-10-6-12-31(28(23)18-26)37-42(40,41)32-16-14-24(34)17-30(32)35/h2-5,7-9,11,13-18,27,29,31,37H,6,10,12,19-20H2,1H3.
What are the key properties of N-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
N-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 587.69 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(2,4-difluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 21358970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).