N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C20H21NO3S2 — CID 26943731

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H21NO3S2/c1-16-9-11-19(12-10-16)26(22,23)21(15-18-7-5-13-25-18)14-17-6-3-4-8-20(17)24-2/h3-13H,14-15H2,1-2H3
InChIKeyAKBOQVJJSYHPBR-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.46
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 26943731) has the molecular formula C20H21NO3S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID26943731
Molecular FormulaC20H21NO3S2
Molecular Weight387.53 g/mol
Exact Mass387.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H21NO3S2/c1-16-9-11-19(12-10-16)26(22,23)21(15-18-7-5-13-25-18)14-17-6-3-4-8-20(17)24-2/h3-13H,14-15H2,1-2H3
InChIKeyAKBOQVJJSYHPBR-UHFFFAOYSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31481947
2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35305554
5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 26943739
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 71624059
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
1-[4-(difluoromethylsulfonyl)phenyl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 112803273
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
ethyl 4-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 3184182
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 112811372

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 26943731) is N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is AKBOQVJJSYHPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S2/c1-16-9-11-19(12-10-16)26(22,23)21(15-18-7-5-13-25-18)14-17-6-3-4-8-20(17)24-2/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 387.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 26943731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).