N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide

C20H24N2O2S2 — CID 66907536

IUPACN-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide
SMILESCCCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H24N2O2S2/c1-4-5-14-22(20-15-16-8-6-7-9-19(16)25-20)26(23,24)18-12-10-17(11-13-18)21(2)3/h6-13,15H,4-5,14H2,1-3H3
InChIKeyBTOSCLCYGKTVNE-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.96
Rot. Bonds7

About N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide

N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide (PubChem CID 66907536) has the molecular formula C20H24N2O2S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide
PubChem CID66907536
Molecular FormulaC20H24N2O2S2
Molecular Weight388.56 g/mol
Exact Mass388.13
IUPAC NameN-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide
SMILESCCCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H24N2O2S2/c1-4-5-14-22(20-15-16-8-6-7-9-19(16)25-20)26(23,24)18-12-10-17(11-13-18)21(2)3/h6-13,15H,4-5,14H2,1-3H3
InChIKeyBTOSCLCYGKTVNE-UHFFFAOYSA-N
XLogP4.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 71624059
N-(3-bromo-1-benzothiophen-2-yl)-N-butyl-4-morpholin-4-ylbenzenesulfonamide
CID 57920366
4-amino-N-(1-benzothiophen-2-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 57920372
N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 57920413
N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
CID 57920465
4-amino-N-(3-chloro-1-benzothiophen-2-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 57920468
N-(1-benzothiophen-2-yl)-N-butyl-4-morpholin-4-ylbenzenesulfonamide
CID 57920469
N-(1-benzothiophen-2-yl)-N-(2-cyclopropylethyl)-4-(dimethylamino)benzenesulfonamide
CID 57920477
N-(1-benzothiophen-2-yl)-4-(methanesulfonamido)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 57920503
N-(3-chloro-1-benzothiophen-2-yl)-4-(methanesulfonamido)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 57920518
N-(1-benzothiophen-2-yl)-N-(2-cyclopropylethyl)-4-(methylamino)benzenesulfonamide
CID 57920523
N-[3-[(dimethylamino)methyl]-1-benzothiophen-2-yl]-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide
CID 57920534

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide (CID 66907536) is N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide is CCCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide?
The InChIKey is BTOSCLCYGKTVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S2/c1-4-5-14-22(20-15-16-8-6-7-9-19(16)25-20)26(23,24)18-12-10-17(11-13-18)21(2)3/h6-13,15H,4-5,14H2,1-3H3.
What are the key properties of N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide has a molecular weight of 388.56 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-butyl-4-(dimethylamino)benzenesulfonamide is sourced from PubChem (CID 66907536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).