N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide

C24H38FN3O5S — CID 123579896

IUPACN-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide
SMILESCC1CCCCC2CC2(C(=O)NS(=O)(=O)C2(CF)CC2)NC(=O)C2CCCN2C(=O)CC(C)C1
InChIInChI=1S/C24H38FN3O5S/c1-16-6-3-4-7-18-14-24(18,22(31)27-34(32,33)23(15-25)9-10-23)26-21(30)19-8-5-11-28(19)20(29)13-17(2)12-16/h16-19H,3-15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyKWXCLNVRDHYRLV-UHFFFAOYSA-N
MW499.65 g/mol
LogP2.43
Rot. Bonds4

About N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide

N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide (PubChem CID 123579896) has the molecular formula C24H38FN3O5S and a molecular weight of 499.65 g/mol. Its IUPAC name is N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide
PubChem CID123579896
Molecular FormulaC24H38FN3O5S
Molecular Weight499.65 g/mol
Exact Mass499.25
IUPAC NameN-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide
SMILESCC1CCCCC2CC2(C(=O)NS(=O)(=O)C2(CF)CC2)NC(=O)C2CCCN2C(=O)CC(C)C1
InChIInChI=1S/C24H38FN3O5S/c1-16-6-3-4-7-18-14-24(18,22(31)27-34(32,33)23(15-25)9-10-23)26-21(30)19-8-5-11-28(19)20(29)13-17(2)12-16/h16-19H,3-15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyKWXCLNVRDHYRLV-UHFFFAOYSA-N
XLogP2.43
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.65
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide?
The IUPAC name of N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide (CID 123579896) is N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide.
What is the SMILES notation for N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide?
The canonical SMILES for N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide is CC1CCCCC2CC2(C(=O)NS(=O)(=O)C2(CF)CC2)NC(=O)C2CCCN2C(=O)CC(C)C1.
What is the InChIKey of N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide?
The InChIKey is KWXCLNVRDHYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38FN3O5S/c1-16-6-3-4-7-18-14-24(18,22(31)27-34(32,33)23(15-25)9-10-23)26-21(30)19-8-5-11-28(19)20(29)13-17(2)12-16/h16-19H,3-15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide?
N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide has a molecular weight of 499.65 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(fluoromethyl)cyclopropyl]sulfonyl-11,13-dimethyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxamide is sourced from PubChem (CID 123579896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).