N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide

C20H22N2O2S2 — CID 31821997

IUPACN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H22N2O2S2/c1-22(2)15-16-9-11-17(12-10-16)19-7-4-3-6-18(19)14-21-26(23,24)20-8-5-13-25-20/h3-13,21H,14-15H2,1-2H3
InChIKeyKIZQZOHMHVZYDD-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.96
Rot. Bonds7

About N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 31821997) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide
PubChem CID31821997
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide
SMILESCN(C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H22N2O2S2/c1-22(2)15-16-9-11-17(12-10-16)19-7-4-3-6-18(19)14-21-26(23,24)20-8-5-13-25-20/h3-13,21H,14-15H2,1-2H3
InChIKeyKIZQZOHMHVZYDD-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide (CID 31821997) is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide is CN(C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is KIZQZOHMHVZYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-22(2)15-16-9-11-17(12-10-16)19-7-4-3-6-18(19)14-21-26(23,24)20-8-5-13-25-20/h3-13,21H,14-15H2,1-2H3.
What are the key properties of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide?
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 386.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 31821997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).