N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C27H25F3N2O4S2 — CID 66907849

IUPACN-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(N3CCOCC3)cc2)sc2ccccc12
InChIInChI=1S/C27H25F3N2O4S2/c1-19-24-4-2-3-5-25(24)37-26(19)32(18-20-6-10-22(11-7-20)36-27(28,29)30)38(33,34)23-12-8-21(9-13-23)31-14-16-35-17-15-31/h2-13H,14-18H2,1H3
InChIKeyMLMMTELEZXQIJM-UHFFFAOYSA-N
MW562.64 g/mol
LogP6.34
Rot. Bonds7

About N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 66907849) has the molecular formula C27H25F3N2O4S2 and a molecular weight of 562.64 g/mol. Its IUPAC name is N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID66907849
Molecular FormulaC27H25F3N2O4S2
Molecular Weight562.64 g/mol
Exact Mass562.12
IUPAC NameN-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(N3CCOCC3)cc2)sc2ccccc12
InChIInChI=1S/C27H25F3N2O4S2/c1-19-24-4-2-3-5-25(24)37-26(19)32(18-20-6-10-22(11-7-20)36-27(28,29)30)38(33,34)23-12-8-21(9-13-23)31-14-16-35-17-15-31/h2-13H,14-18H2,1H3
InChIKeyMLMMTELEZXQIJM-UHFFFAOYSA-N
XLogP6.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.64
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 66907849) is N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(N3CCOCC3)cc2)sc2ccccc12.
What is the InChIKey of N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is MLMMTELEZXQIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O4S2/c1-19-24-4-2-3-5-25(24)37-26(19)32(18-20-6-10-22(11-7-20)36-27(28,29)30)38(33,34)23-12-8-21(9-13-23)31-14-16-35-17-15-31/h2-13H,14-18H2,1H3.
What are the key properties of N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 562.64 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 66907849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).