(2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide

C19H22F2N4O4S — CID 32554758

IUPAC(2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide
SMILESCC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H22F2N4O4S/c1-3-11(2)17(24-19(22)27)18(26)23-12-4-6-13(7-5-12)25-30(28,29)14-8-9-15(20)16(21)10-14/h4-11,17,25H,3H2,1-2H3,(H,23,26)(H3,22,24,27)/t11-,17+/m1/s1
InChIKeyJNZAEQUMORBIFL-DIFFPNOSSA-N
MW440.47 g/mol
LogP2.79
Rot. Bonds8

About (2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide

(2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide (PubChem CID 32554758) has the molecular formula C19H22F2N4O4S and a molecular weight of 440.47 g/mol. Its IUPAC name is (2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide
PubChem CID32554758
Molecular FormulaC19H22F2N4O4S
Molecular Weight440.47 g/mol
Exact Mass440.13
IUPAC Name(2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide
SMILESCC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H22F2N4O4S/c1-3-11(2)17(24-19(22)27)18(26)23-12-4-6-13(7-5-12)25-30(28,29)14-8-9-15(20)16(21)10-14/h4-11,17,25H,3H2,1-2H3,(H,23,26)(H3,22,24,27)/t11-,17+/m1/s1
InChIKeyJNZAEQUMORBIFL-DIFFPNOSSA-N
XLogP2.79
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide with MolForge

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Related Compounds

(2S,3S)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide
CID 32554764
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883
2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 42908939
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2372389
2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
CID 64792800
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 24636258
(2S)-2-(carbamoylamino)-N-(3,4-difluorophenyl)-3-methylbutanamide
CID 9210236
(2R,3S)-N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 41144251
(2S,3S)-N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 9223897

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide?
The IUPAC name of (2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide (CID 32554758) is (2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide?
The canonical SMILES for (2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide is CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of (2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide?
The InChIKey is JNZAEQUMORBIFL-DIFFPNOSSA-N. The full InChI is InChI=1S/C19H22F2N4O4S/c1-3-11(2)17(24-19(22)27)18(26)23-12-4-6-13(7-5-12)25-30(28,29)14-8-9-15(20)16(21)10-14/h4-11,17,25H,3H2,1-2H3,(H,23,26)(H3,22,24,27)/t11-,17+/m1/s1.
What are the key properties of (2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide?
(2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide has a molecular weight of 440.47 g/mol, XLogP of 2.79, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(carbamoylamino)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-methylpentanamide is sourced from PubChem (CID 32554758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).