3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide

C30H27F3N4O3S — CID 20754954

IUPAC3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cccnc1Nc1ccc2c(c1)C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C30H27F3N4O3S/c31-30(32,33)22-11-14-24(15-12-22)41(39,40)37-26-16-10-21-9-13-23(19-25(21)26)35-29-27(7-4-18-34-29)36-28(38)17-8-20-5-2-1-3-6-20/h1-7,9,11-15,18-19,26,37H,8,10,16-17H2,(H,34,35)(H,36,38)
InChIKeyGEIQMFUIUOQUEG-UHFFFAOYSA-N
MW580.63 g/mol
LogP6.38
Rot. Bonds9

About 3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide

3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide (PubChem CID 20754954) has the molecular formula C30H27F3N4O3S and a molecular weight of 580.63 g/mol. Its IUPAC name is 3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide
PubChem CID20754954
Molecular FormulaC30H27F3N4O3S
Molecular Weight580.63 g/mol
Exact Mass580.18
IUPAC Name3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1cccnc1Nc1ccc2c(c1)C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C30H27F3N4O3S/c31-30(32,33)22-11-14-24(15-12-22)41(39,40)37-26-16-10-21-9-13-23(19-25(21)26)35-29-27(7-4-18-34-29)36-28(38)17-8-20-5-2-1-3-6-20/h1-7,9,11-15,18-19,26,37H,8,10,16-17H2,(H,34,35)(H,36,38)
InChIKeyGEIQMFUIUOQUEG-UHFFFAOYSA-N
XLogP6.38
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.63
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide?
The IUPAC name of 3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide (CID 20754954) is 3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide is O=C(CCc1ccccc1)Nc1cccnc1Nc1ccc2c(c1)C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of 3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide?
The InChIKey is GEIQMFUIUOQUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N4O3S/c31-30(32,33)22-11-14-24(15-12-22)41(39,40)37-26-16-10-21-9-13-23(19-25(21)26)35-29-27(7-4-18-34-29)36-28(38)17-8-20-5-2-1-3-6-20/h1-7,9,11-15,18-19,26,37H,8,10,16-17H2,(H,34,35)(H,36,38).
What are the key properties of 3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide?
3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide has a molecular weight of 580.63 g/mol, XLogP of 6.38, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-[[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-3-pyridinyl]propanamide is sourced from PubChem (CID 20754954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).