trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide

C30H28F2N4O3S — CID 90808600

IUPACtrans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C30H28F2N4O3S/c1-35-15-14-33-29(35)18-36(30(37)27-17-25(27)19-2-6-21(31)7-3-19)23-10-4-20-5-13-28(26(20)16-23)34-40(38,39)24-11-8-22(32)9-12-24/h2-4,6-12,14-16,25,27-28,34H,5,13,17-18H2,1H3/t25-,27+,28+/m0/s1
InChIKeyHGVSRIQXQYKUEP-KJYTXNCISA-N
MW562.64 g/mol
LogP5.00
Rot. Bonds8

About trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 90808600) has the molecular formula C30H28F2N4O3S and a molecular weight of 562.64 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID90808600
Molecular FormulaC30H28F2N4O3S
Molecular Weight562.64 g/mol
Exact Mass562.19
IUPAC Nametrans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCn1ccnc1CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C30H28F2N4O3S/c1-35-15-14-33-29(35)18-36(30(37)27-17-25(27)19-2-6-21(31)7-3-19)23-10-4-20-5-13-28(26(20)16-23)34-40(38,39)24-11-8-22(32)9-12-24/h2-4,6-12,14-16,25,27-28,34H,5,13,17-18H2,1H3/t25-,27+,28+/m0/s1
InChIKeyHGVSRIQXQYKUEP-KJYTXNCISA-N
XLogP5.00
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.64
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-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 trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 90808600) is trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is Cn1ccnc1CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is HGVSRIQXQYKUEP-KJYTXNCISA-N. The full InChI is InChI=1S/C30H28F2N4O3S/c1-35-15-14-33-29(35)18-36(30(37)27-17-25(27)19-2-6-21(31)7-3-19)23-10-4-20-5-13-28(26(20)16-23)34-40(38,39)24-11-8-22(32)9-12-24/h2-4,6-12,14-16,25,27-28,34H,5,13,17-18H2,1H3/t25-,27+,28+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 562.64 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-fluorophenyl)-N-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90808600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).