cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide

C32H30FN3O3S — CID 59914130

IUPACcis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1cccc(CN(C(=O)[C@H]2C[C@H]2c2ccccc2)c2ccc3c(c2)[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC3)n1
InChIInChI=1S/C32H30FN3O3S/c1-21-6-5-9-25(34-21)20-36(32(37)30-19-28(30)22-7-3-2-4-8-22)26-14-10-23-11-17-31(29(23)18-26)35-40(38,39)27-15-12-24(33)13-16-27/h2-10,12-16,18,28,30-31,35H,11,17,19-20H2,1H3/t28-,30-,31-/m0/s1
InChIKeyQWVHFYMGYMYCNR-ASVWTAOFSA-N
MW555.68 g/mol
LogP5.83
Rot. Bonds8

About cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 59914130) has the molecular formula C32H30FN3O3S and a molecular weight of 555.68 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID59914130
Molecular FormulaC32H30FN3O3S
Molecular Weight555.68 g/mol
Exact Mass555.20
IUPAC Namecis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1cccc(CN(C(=O)[C@H]2C[C@H]2c2ccccc2)c2ccc3c(c2)[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC3)n1
InChIInChI=1S/C32H30FN3O3S/c1-21-6-5-9-25(34-21)20-36(32(37)30-19-28(30)22-7-3-2-4-8-22)26-14-10-23-11-17-31(29(23)18-26)35-40(38,39)27-15-12-24(33)13-16-27/h2-10,12-16,18,28,30-31,35H,11,17,19-20H2,1H3/t28-,30-,31-/m0/s1
InChIKeyQWVHFYMGYMYCNR-ASVWTAOFSA-N
XLogP5.83
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 59914130) is cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide is Cc1cccc(CN(C(=O)[C@H]2C[C@H]2c2ccccc2)c2ccc3c(c2)[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC3)n1.
What is the InChIKey of cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is QWVHFYMGYMYCNR-ASVWTAOFSA-N. The full InChI is InChI=1S/C32H30FN3O3S/c1-21-6-5-9-25(34-21)20-36(32(37)30-19-28(30)22-7-3-2-4-8-22)26-14-10-23-11-17-31(29(23)18-26)35-40(38,39)27-15-12-24(33)13-16-27/h2-10,12-16,18,28,30-31,35H,11,17,19-20H2,1H3/t28-,30-,31-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 555.68 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 59914130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).