N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide

C21H24N2O4S2 — CID 90583373

IUPACN-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)c(C)c1
InChIInChI=1S/C21H24N2O4S2/c1-3-21(24)22-18-6-7-20(16(2)13-18)29(25,26)23(14-17-9-11-27-15-17)10-8-19-5-4-12-28-19/h4-7,9,11-13,15H,3,8,10,14H2,1-2H3,(H,22,24)
InChIKeySNTAMMQNZMICRS-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.43
Rot. Bonds9

About N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide

N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide (PubChem CID 90583373) has the molecular formula C21H24N2O4S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide
PubChem CID90583373
Molecular FormulaC21H24N2O4S2
Molecular Weight432.57 g/mol
Exact Mass432.12
IUPAC NameN-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)c(C)c1
InChIInChI=1S/C21H24N2O4S2/c1-3-21(24)22-18-6-7-20(16(2)13-18)29(25,26)23(14-17-9-11-27-15-17)10-8-19-5-4-12-28-19/h4-7,9,11-13,15H,3,8,10,14H2,1-2H3,(H,22,24)
InChIKeySNTAMMQNZMICRS-UHFFFAOYSA-N
XLogP4.43
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate
CID 72717975
N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90583348
N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
CID 90558454
2-ethoxy-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90583331
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965560
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 30837668
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583396
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832
3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90583258
3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 71804140

Frequently Asked Questions

What is the IUPAC name of N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide?
The IUPAC name of N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide (CID 90583373) is N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)c(C)c1.
What is the InChIKey of N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide?
The InChIKey is SNTAMMQNZMICRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S2/c1-3-21(24)22-18-6-7-20(16(2)13-18)29(25,26)23(14-17-9-11-27-15-17)10-8-19-5-4-12-28-19/h4-7,9,11-13,15H,3,8,10,14H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide?
N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide has a molecular weight of 432.57 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide is sourced from PubChem (CID 90583373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).