N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide

C20H23F2N3O4S — CID 55501866

IUPACN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCNC(=O)C(NC(=O)CCNS(=O)(=O)c1ccc(C)cc1C)c1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2N3O4S/c1-12-4-7-17(13(2)10-12)30(28,29)24-9-8-18(26)25-19(20(27)23-3)14-5-6-15(21)16(22)11-14/h4-7,10-11,19,24H,8-9H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyVLRUXBUKWCJDDD-UHFFFAOYSA-N
MW439.48 g/mol
LogP1.85
Rot. Bonds8

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 55501866) has the molecular formula C20H23F2N3O4S and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID55501866
Molecular FormulaC20H23F2N3O4S
Molecular Weight439.48 g/mol
Exact Mass439.14
IUPAC NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCNC(=O)C(NC(=O)CCNS(=O)(=O)c1ccc(C)cc1C)c1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2N3O4S/c1-12-4-7-17(13(2)10-12)30(28,29)24-9-8-18(26)25-19(20(27)23-3)14-5-6-15(21)16(22)11-14/h4-7,10-11,19,24H,8-9H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyVLRUXBUKWCJDDD-UHFFFAOYSA-N
XLogP1.85
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55502156
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
4-tert-butyl-N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 55483213
N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55501871
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134051690
2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 78834542
4-(4-chloro-2-methylphenoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]butanamide
CID 55502602
4-chloro-N-[4-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-4-oxobutyl]benzamide
CID 55501712
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55502416
N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 134051678
4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441778

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide (CID 55501866) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide is CNC(=O)C(NC(=O)CCNS(=O)(=O)c1ccc(C)cc1C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is VLRUXBUKWCJDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4S/c1-12-4-7-17(13(2)10-12)30(28,29)24-9-8-18(26)25-19(20(27)23-3)14-5-6-15(21)16(22)11-14/h4-7,10-11,19,24H,8-9H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 439.48 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55501866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).