2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide

C17H19N3O3S — CID 154726397

IUPAC2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)NCC1CC1(C(=O)Nc1cccnc1)c1ccccc1
InChIInChI=1S/C17H19N3O3S/c1-24(22,23)19-11-14-10-17(14,13-6-3-2-4-7-13)16(21)20-15-8-5-9-18-12-15/h2-9,12,14,19H,10-11H2,1H3,(H,20,21)
InChIKeyWRLVRVTXFRKZEU-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.53
Rot. Bonds6

About 2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide

2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 154726397) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID154726397
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)NCC1CC1(C(=O)Nc1cccnc1)c1ccccc1
InChIInChI=1S/C17H19N3O3S/c1-24(22,23)19-11-14-10-17(14,13-6-3-2-4-7-13)16(21)20-15-8-5-9-18-12-15/h2-9,12,14,19H,10-11H2,1H3,(H,20,21)
InChIKeyWRLVRVTXFRKZEU-UHFFFAOYSA-N
XLogP1.53
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide (CID 154726397) is 2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide is CS(=O)(=O)NCC1CC1(C(=O)Nc1cccnc1)c1ccccc1.
What is the InChIKey of 2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is WRLVRVTXFRKZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-24(22,23)19-11-14-10-17(14,13-6-3-2-4-7-13)16(21)20-15-8-5-9-18-12-15/h2-9,12,14,19H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamidomethyl)-1-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 154726397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).