N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide

C19H20F2N2O2S — CID 55707977

IUPACN-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2S/c1-11(2)19(25)22-13-5-4-12(3)17(8-13)23-18(24)10-26-14-6-7-15(20)16(21)9-14/h4-9,11H,10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKFGSLHRUJUUEOA-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.60
Rot. Bonds6

About N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide

N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide (PubChem CID 55707977) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
PubChem CID55707977
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC NameN-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2S/c1-11(2)19(25)22-13-5-4-12(3)17(8-13)23-18(24)10-26-14-6-7-15(20)16(21)9-14/h4-9,11H,10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKFGSLHRUJUUEOA-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55707973
N-[3-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55720223
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 87029073
N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055699
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide
CID 47063867
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 119725790
3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9045097
N-[5-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-2-methylphenyl]-2-methylpropanamide
CID 131943184

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide (CID 55707977) is N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CSc1ccc(F)c(F)c1.
What is the InChIKey of N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is KFGSLHRUJUUEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c1-11(2)19(25)22-13-5-4-12(3)17(8-13)23-18(24)10-26-14-6-7-15(20)16(21)9-14/h4-9,11H,10H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide?
N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 378.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 55707977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).