N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide

C24H26ClF3N2O2S2 — CID 69158430

IUPACN-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide
SMILESCCN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(S(=O)(=O)NCC(C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C24H26ClF3N2O2S2/c1-3-30(15-18-5-4-6-20(13-18)24(26,27)28)16-22-11-12-23(33-22)34(31,32)29-14-17(2)19-7-9-21(25)10-8-19/h4-13,17,29H,3,14-16H2,1-2H3
InChIKeyWLCKVDBCQORJRC-UHFFFAOYSA-N
MW531.07 g/mol
LogP6.52
Rot. Bonds10

About N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide

N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide (PubChem CID 69158430) has the molecular formula C24H26ClF3N2O2S2 and a molecular weight of 531.07 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide
PubChem CID69158430
Molecular FormulaC24H26ClF3N2O2S2
Molecular Weight531.07 g/mol
Exact Mass530.11
IUPAC NameN-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide
SMILESCCN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(S(=O)(=O)NCC(C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C24H26ClF3N2O2S2/c1-3-30(15-18-5-4-6-20(13-18)24(26,27)28)16-22-11-12-23(33-22)34(31,32)29-14-17(2)19-7-9-21(25)10-8-19/h4-13,17,29H,3,14-16H2,1-2H3
InChIKeyWLCKVDBCQORJRC-UHFFFAOYSA-N
XLogP6.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.07
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide (CID 69158430) is N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide is CCN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(S(=O)(=O)NCC(C)c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide?
The InChIKey is WLCKVDBCQORJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N2O2S2/c1-3-30(15-18-5-4-6-20(13-18)24(26,27)28)16-22-11-12-23(33-22)34(31,32)29-14-17(2)19-7-9-21(25)10-8-19/h4-13,17,29H,3,14-16H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide?
N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide has a molecular weight of 531.07 g/mol, XLogP of 6.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)propyl]-5-[[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 69158430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).