[3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate

C16H20N2O6S2 — CID 71093006

IUPAC[3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
SMILESCOC(=O)Oc1sccc1S(=O)(=O)Nc1ccc(NC(C)C)cc1OC
InChIInChI=1S/C16H20N2O6S2/c1-10(2)17-11-5-6-12(13(9-11)22-3)18-26(20,21)14-7-8-25-15(14)24-16(19)23-4/h5-10,17-18H,1-4H3
InChIKeyKYHHKQFRYWTFCE-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.52
Rot. Bonds7

About [3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate

[3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate (PubChem CID 71093006) has the molecular formula C16H20N2O6S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is [3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate.

Molecular Properties

Compound Name[3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
PubChem CID71093006
Molecular FormulaC16H20N2O6S2
Molecular Weight400.48 g/mol
Exact Mass400.08
IUPAC Name[3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
SMILESCOC(=O)Oc1sccc1S(=O)(=O)Nc1ccc(NC(C)C)cc1OC
InChIInChI=1S/C16H20N2O6S2/c1-10(2)17-11-5-6-12(13(9-11)22-3)18-26(20,21)14-7-8-25-15(14)24-16(19)23-4/h5-10,17-18H,1-4H3
InChIKeyKYHHKQFRYWTFCE-UHFFFAOYSA-N
XLogP3.52
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
CID 71093011
[3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
CID 71092870
(3-chlorosulfonylthiophen-2-yl) methyl carbonate
CID 89266799
N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992830
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
N-[4-[[(2R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]amino]-2-methoxyphenyl]acetamide
CID 94641757
N-[2-methoxy-4-(1-thiophen-2-ylpropylamino)phenyl]acetamide
CID 43672924
N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
CID 55901202
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 21335908
N-[4-[(3,4-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 55902732
N-[4-[(2-fluorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 60527169
tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate
CID 113354897

Frequently Asked Questions

What is the IUPAC name of [3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
The IUPAC name of [3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate (CID 71093006) is [3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate.
What is the SMILES notation for [3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
The canonical SMILES for [3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate is COC(=O)Oc1sccc1S(=O)(=O)Nc1ccc(NC(C)C)cc1OC.
What is the InChIKey of [3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
The InChIKey is KYHHKQFRYWTFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S2/c1-10(2)17-11-5-6-12(13(9-11)22-3)18-26(20,21)14-7-8-25-15(14)24-16(19)23-4/h5-10,17-18H,1-4H3.
What are the key properties of [3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
[3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate has a molecular weight of 400.48 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate is sourced from PubChem (CID 71093006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).