N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide

C20H25N3O4S3 — CID 19813425

IUPACN-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1cc2cc(NS(C)(=O)=O)ccc2s1
InChIInChI=1S/C20H25N3O4S3/c1-23(11-10-15-4-6-17(7-5-15)21-29(2,24)25)14-19-13-16-12-18(22-30(3,26)27)8-9-20(16)28-19/h4-9,12-13,21-22H,10-11,14H2,1-3H3
InChIKeyYVEHWRRXRQTRLN-UHFFFAOYSA-N
MW467.64 g/mol
LogP3.32
Rot. Bonds9

About N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 19813425) has the molecular formula C20H25N3O4S3 and a molecular weight of 467.64 g/mol. Its IUPAC name is N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide
PubChem CID19813425
Molecular FormulaC20H25N3O4S3
Molecular Weight467.64 g/mol
Exact Mass467.10
IUPAC NameN-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1cc2cc(NS(C)(=O)=O)ccc2s1
InChIInChI=1S/C20H25N3O4S3/c1-23(11-10-15-4-6-17(7-5-15)21-29(2,24)25)14-19-13-16-12-18(22-30(3,26)27)8-9-20(16)28-19/h4-9,12-13,21-22H,10-11,14H2,1-3H3
InChIKeyYVEHWRRXRQTRLN-UHFFFAOYSA-N
XLogP3.32
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-(2-ethyl-1-benzothiophen-5-yl)methanesulfonamide
CID 19754290
N-[4-[2-[[5-(methanesulfonamido)-1,3-benzoxazol-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 10389165
N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113
4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide
CID 67936136
N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 54136082
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide
CID 166429377
N-[4-[2-[[4-(dimethylamino)-6-(methanesulfonamido)quinolin-2-yl]-methylamino]ethyl]phenyl]methanesulfonamide
CID 139719772
N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 14645114
N-[4-[2-[[6-(methanesulfonamido)-4-[2-(4-nitrophenyl)ethylamino]quinolin-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 139719816
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
1-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]-4-[(sulfinatoamino)methyl]benzene
CID 169226968

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide (CID 19813425) is N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide is CN(CCc1ccc(NS(C)(=O)=O)cc1)Cc1cc2cc(NS(C)(=O)=O)ccc2s1.
What is the InChIKey of N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide?
The InChIKey is YVEHWRRXRQTRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S3/c1-23(11-10-15-4-6-17(7-5-15)21-29(2,24)25)14-19-13-16-12-18(22-30(3,26)27)8-9-20(16)28-19/h4-9,12-13,21-22H,10-11,14H2,1-3H3.
What are the key properties of N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 467.64 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-(methanesulfonamido)-1-benzothiophen-2-yl]methyl-methylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 19813425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).