3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide

C18H21ClF3N3O3S2 — CID 55331582

IUPAC3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
SMILESCN(C)C(CNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C18H21ClF3N3O3S2/c1-25(2)15(16-4-3-9-29-16)11-23-17(26)7-8-24-30(27,28)12-5-6-14(19)13(10-12)18(20,21)22/h3-6,9-10,15,24H,7-8,11H2,1-2H3,(H,23,26)
InChIKeyYWIFCVRHYJJPLV-UHFFFAOYSA-N
MW483.97 g/mol
LogP3.51
Rot. Bonds9

About 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide (PubChem CID 55331582) has the molecular formula C18H21ClF3N3O3S2 and a molecular weight of 483.97 g/mol. Its IUPAC name is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
PubChem CID55331582
Molecular FormulaC18H21ClF3N3O3S2
Molecular Weight483.97 g/mol
Exact Mass483.07
IUPAC Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
SMILESCN(C)C(CNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C18H21ClF3N3O3S2/c1-25(2)15(16-4-3-9-29-16)11-23-17(26)7-8-24-30(27,28)12-5-6-14(19)13(10-12)18(20,21)22/h3-6,9-10,15,24H,7-8,11H2,1-2H3,(H,23,26)
InChIKeyYWIFCVRHYJJPLV-UHFFFAOYSA-N
XLogP3.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.97
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55352604
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide
CID 55457674
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(N-methylanilino)ethyl]propanamide
CID 55447360
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 51147527
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 112842777
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806518
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide
CID 55637530
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38533028
4-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2468122
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide
CID 55866324
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 24639635

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide (CID 55331582) is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide is CN(C)C(CNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
The InChIKey is YWIFCVRHYJJPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF3N3O3S2/c1-25(2)15(16-4-3-9-29-16)11-23-17(26)7-8-24-30(27,28)12-5-6-14(19)13(10-12)18(20,21)22/h3-6,9-10,15,24H,7-8,11H2,1-2H3,(H,23,26).
What are the key properties of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide?
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide has a molecular weight of 483.97 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 55331582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).