(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide

C20H23F3N4O4S — CID 39393327

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1
InChIInChI=1S/C20H23F3N4O4S/c1-12(26-32(30,31)16-8-6-15(7-9-16)24-13(2)28)19(29)25-17-11-14(20(21,22)23)5-10-18(17)27(3)4/h5-12,26H,1-4H3,(H,24,28)(H,25,29)/t12-/m0/s1
InChIKeyYYWLTEPXOXRZDP-LBPRGKRZSA-N
MW472.49 g/mol
LogP3.04
Rot. Bonds7

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 39393327) has the molecular formula C20H23F3N4O4S and a molecular weight of 472.49 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
PubChem CID39393327
Molecular FormulaC20H23F3N4O4S
Molecular Weight472.49 g/mol
Exact Mass472.14
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1
InChIInChI=1S/C20H23F3N4O4S/c1-12(26-32(30,31)16-8-6-15(7-9-16)24-13(2)28)19(29)25-17-11-14(20(21,22)23)5-10-18(17)27(3)4/h5-12,26H,1-4H3,(H,24,28)(H,25,29)/t12-/m0/s1
InChIKeyYYWLTEPXOXRZDP-LBPRGKRZSA-N
XLogP3.04
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 39095106
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 124551745
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 28549157
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 55940319
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134000118
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1378166
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide (CID 39393327) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YYWLTEPXOXRZDP-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23F3N4O4S/c1-12(26-32(30,31)16-8-6-15(7-9-16)24-13(2)28)19(29)25-17-11-14(20(21,22)23)5-10-18(17)27(3)4/h5-12,26H,1-4H3,(H,24,28)(H,25,29)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 472.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 39393327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).