N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide

C25H30N2O4S2 — CID 20934635

IUPACN-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2cc(CN3CCOCC3)cs2)S(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C25H30N2O4S2/c1-19-4-9-25(20(2)14-19)33(28,29)27(22-5-7-23(30-3)8-6-22)17-24-15-21(18-32-24)16-26-10-12-31-13-11-26/h4-9,14-15,18H,10-13,16-17H2,1-3H3
InChIKeyXSVDDPJFZKQURI-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.60
Rot. Bonds8

About N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide

N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 20934635) has the molecular formula C25H30N2O4S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID20934635
Molecular FormulaC25H30N2O4S2
Molecular Weight486.66 g/mol
Exact Mass486.16
IUPAC NameN-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(N(Cc2cc(CN3CCOCC3)cs2)S(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C25H30N2O4S2/c1-19-4-9-25(20(2)14-19)33(28,29)27(22-5-7-23(30-3)8-6-22)17-24-15-21(18-32-24)16-26-10-12-31-13-11-26/h4-9,14-15,18H,10-13,16-17H2,1-3H3
InChIKeyXSVDDPJFZKQURI-UHFFFAOYSA-N
XLogP4.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-difluoro-N-(4-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934643
N-(4-fluorophenyl)-4-methoxy-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934660
N-(4-chlorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 20934648
N-(4-fluorophenyl)-3,5-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 46335552
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 29435894
2-[(3R)-1-[3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanoyl]pyrrolidin-3-yl]-N-methylacetamide
CID 166434584
N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 8003484
N-(4-acetylphenyl)-N-[(4-methoxyphenyl)methyl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
CID 58896323
N-[3-[4-(4-bromo-2-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-N-(4-methoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 166353296
3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 34238896
N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 4792892

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide (CID 20934635) is N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide is COc1ccc(N(Cc2cc(CN3CCOCC3)cs2)S(=O)(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is XSVDDPJFZKQURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S2/c1-19-4-9-25(20(2)14-19)33(28,29)27(22-5-7-23(30-3)8-6-22)17-24-15-21(18-32-24)16-26-10-12-31-13-11-26/h4-9,14-15,18H,10-13,16-17H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 486.66 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 20934635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).