3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide

C18H19F3N2O4S — CID 3300002

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H19F3N2O4S/c1-12-3-8-16(11-13(12)2)28(25,26)22-10-9-17(24)23-14-4-6-15(7-5-14)27-18(19,20)21/h3-8,11,22H,9-10H2,1-2H3,(H,23,24)
InChIKeyYOEXGNBGHMAYFU-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.51
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 3300002) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID3300002
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H19F3N2O4S/c1-12-3-8-16(11-13(12)2)28(25,26)22-10-9-17(24)23-14-4-6-15(7-5-14)27-18(19,20)21/h3-8,11,22H,9-10H2,1-2H3,(H,23,24)
InChIKeyYOEXGNBGHMAYFU-UHFFFAOYSA-N
XLogP3.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
methyl N-[4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]phenyl]carbamate
CID 55855713
N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24538040
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
CID 26890848
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46424583
N-(3,4-dichlorophenyl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2402359
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26560503
2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide
CID 55641818
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 60576094
N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
CID 55848949
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 26715751

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 3300002) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is YOEXGNBGHMAYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-12-3-8-16(11-13(12)2)28(25,26)22-10-9-17(24)23-14-4-6-15(7-5-14)27-18(19,20)21/h3-8,11,22H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 416.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 3300002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).