N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide

C27H30FN3O3S — CID 71539635

IUPACN-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide
SMILESCc1cccc(-c2nc(C3CC3)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1
InChIInChI=1S/C27H30FN3O3S/c1-17-5-4-6-21(13-17)26-23(11-12-25(31-26)19-7-8-19)15-29-27(32)18(2)20-9-10-22(24(28)14-20)16-30-35(3,33)34/h4-6,9-14,18-19,30H,7-8,15-16H2,1-3H3,(H,29,32)
InChIKeyGANSXQHSCRUDLH-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.54
Rot. Bonds9

About N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide

N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide (PubChem CID 71539635) has the molecular formula C27H30FN3O3S and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide
PubChem CID71539635
Molecular FormulaC27H30FN3O3S
Molecular Weight495.62 g/mol
Exact Mass495.20
IUPAC NameN-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide
SMILESCc1cccc(-c2nc(C3CC3)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1
InChIInChI=1S/C27H30FN3O3S/c1-17-5-4-6-21(13-17)26-23(11-12-25(31-26)19-7-8-19)15-29-27(32)18(2)20-9-10-22(24(28)14-20)16-30-35(3,33)34/h4-6,9-14,18-19,30H,7-8,15-16H2,1-3H3,(H,29,32)
InChIKeyGANSXQHSCRUDLH-UHFFFAOYSA-N
XLogP4.54
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide
CID 89455585
(2R)-N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide
CID 89455477
(2S)-2-[3-fluoro-4-(methanesulfinamidomethyl)phenyl]-N-[[2-(3-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 141362179
N-[(6-cyclopropyl-2-piperidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 118730333
2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-phenylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 71534546
2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(piperidin-1-ylmethyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 71534803
2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]propanamide
CID 71565515
2-[4-[amino(methylsulfonyl)methyl]-3-fluorophenyl]-N-[[2-(3-fluoro-5-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 89455487
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(3-fluoro-4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 67440200
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 25063518
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 25063516
N-[[1-(3,4-difluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide
CID 71565658

Frequently Asked Questions

What is the IUPAC name of N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide?
The IUPAC name of N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide (CID 71539635) is N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide.
What is the SMILES notation for N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide?
The canonical SMILES for N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide is Cc1cccc(-c2nc(C3CC3)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(F)c2)c1.
What is the InChIKey of N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide?
The InChIKey is GANSXQHSCRUDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3S/c1-17-5-4-6-21(13-17)26-23(11-12-25(31-26)19-7-8-19)15-29-27(32)18(2)20-9-10-22(24(28)14-20)16-30-35(3,33)34/h4-6,9-14,18-19,30H,7-8,15-16H2,1-3H3,(H,29,32).
What are the key properties of N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide?
N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide has a molecular weight of 495.62 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-cyclopropyl-2-(3-methylphenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]propanamide is sourced from PubChem (CID 71539635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).