methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate

C19H20N2O5S2 — CID 72717975

IUPACmethyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)cc1
InChIInChI=1S/C19H20N2O5S2/c1-25-19(22)20-16-4-6-18(7-5-16)28(23,24)21(13-15-9-11-26-14-15)10-8-17-3-2-12-27-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,20,22)
InChIKeyFLLQRPHVPKXFFV-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.95
Rot. Bonds8

About methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate

methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate (PubChem CID 72717975) has the molecular formula C19H20N2O5S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate
PubChem CID72717975
Molecular FormulaC19H20N2O5S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC Namemethyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)cc1
InChIInChI=1S/C19H20N2O5S2/c1-25-19(22)20-16-4-6-18(7-5-16)28(23,24)21(13-15-9-11-26-14-15)10-8-17-3-2-12-27-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,20,22)
InChIKeyFLLQRPHVPKXFFV-UHFFFAOYSA-N
XLogP3.95
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]-3-methylphenyl]propanamide
CID 90583373
N-(furan-3-ylmethyl)-2,3,5,6-tetramethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90583348
2-ethoxy-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90583331
3-[(4-acetamidophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]-N-hydroxypropanamide
CID 23553791
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90583057
1-(furan-3-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(2-thiophen-2-ylethyl)urea
CID 90583403
3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90583258
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate
CID 55161652

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate (CID 72717975) is methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2ccoc2)cc1.
What is the InChIKey of methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate?
The InChIKey is FLLQRPHVPKXFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S2/c1-25-19(22)20-16-4-6-18(7-5-16)28(23,24)21(13-15-9-11-26-14-15)10-8-17-3-2-12-27-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,20,22).
What are the key properties of methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate?
methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate has a molecular weight of 420.51 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 72717975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).