N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide

C29H30F3N3O3S — CID 58002843

IUPACN-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc2c(c1)CC(NS(=O)(=O)NC1CCCCC1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H30F3N3O3S/c30-29(31,32)22-13-10-19(11-14-22)26-8-4-5-9-27(26)28(36)33-24-15-12-20-16-25(18-21(20)17-24)35-39(37,38)34-23-6-2-1-3-7-23/h4-5,8-15,17,23,25,34-35H,1-3,6-7,16,18H2,(H,33,36)
InChIKeyYLKVTCLAELXPDP-UHFFFAOYSA-N
MW557.64 g/mol
LogP5.85
Rot. Bonds7

About N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 58002843) has the molecular formula C29H30F3N3O3S and a molecular weight of 557.64 g/mol. Its IUPAC name is N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID58002843
Molecular FormulaC29H30F3N3O3S
Molecular Weight557.64 g/mol
Exact Mass557.20
IUPAC NameN-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc2c(c1)CC(NS(=O)(=O)NC1CCCCC1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H30F3N3O3S/c30-29(31,32)22-13-10-19(11-14-22)26-8-4-5-9-27(26)28(36)33-24-15-12-20-16-25(18-21(20)17-24)35-39(37,38)34-23-6-2-1-3-7-23/h4-5,8-15,17,23,25,34-35H,1-3,6-7,16,18H2,(H,33,36)
InChIKeyYLKVTCLAELXPDP-UHFFFAOYSA-N
XLogP5.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.64
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 58002843) is N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc2c(c1)CC(NS(=O)(=O)NC1CCCCC1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YLKVTCLAELXPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O3S/c30-29(31,32)22-13-10-19(11-14-22)26-8-4-5-9-27(26)28(36)33-24-15-12-20-16-25(18-21(20)17-24)35-39(37,38)34-23-6-2-1-3-7-23/h4-5,8-15,17,23,25,34-35H,1-3,6-7,16,18H2,(H,33,36).
What are the key properties of N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 557.64 g/mol, XLogP of 5.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58002843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).