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

C18H24N2O6S2 — CID 71092870

IUPAC[3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccsc2OC(=O)OC)c(OC)c1
InChIInChI=1S/C18H24N2O6S2/c1-4-5-6-10-19-13-7-8-14(15(12-13)24-2)20-28(22,23)16-9-11-27-17(16)26-18(21)25-3/h7-9,11-12,19-20H,4-6,10H2,1-3H3
InChIKeyHNLJCRZZEFKRNN-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.30
Rot. Bonds10

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

[3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate (PubChem CID 71092870) has the molecular formula C18H24N2O6S2 and a molecular weight of 428.53 g/mol. Its IUPAC name is [3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate.

Molecular Properties

Compound Name[3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
PubChem CID71092870
Molecular FormulaC18H24N2O6S2
Molecular Weight428.53 g/mol
Exact Mass428.11
IUPAC Name[3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccsc2OC(=O)OC)c(OC)c1
InChIInChI=1S/C18H24N2O6S2/c1-4-5-6-10-19-13-7-8-14(15(12-13)24-2)20-28(22,23)16-9-11-27-17(16)26-18(21)25-3/h7-9,11-12,19-20H,4-6,10H2,1-3H3
InChIKeyHNLJCRZZEFKRNN-UHFFFAOYSA-N
XLogP4.30
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
CID 71093006
[3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
CID 71093011
(3-chlorosulfonylthiophen-2-yl) methyl carbonate
CID 89266799
2-methoxy-5-(pentylamino)benzenesulfonamide
CID 143880253
2,4-dimethoxy-N-pentylaniline
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4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
methyl 3-[[2-(butylamino)-5-sulfamoylphenyl]sulfamoyl]thiophene-2-carboxylate
CID 55488459
tert-butyl N-[5-(hexylamino)-2-methoxyphenyl]carbamate
CID 107239632
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
4-butyl-N-[4-(methanesulfonamido)-3-methoxyphenyl]cyclohexane-1-carboxamide
CID 37257828
N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175

Frequently Asked Questions

What is the IUPAC name of [3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
The IUPAC name of [3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate (CID 71092870) is [3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate.
What is the SMILES notation for [3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
The canonical SMILES for [3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate is CCCCCNc1ccc(NS(=O)(=O)c2ccsc2OC(=O)OC)c(OC)c1.
What is the InChIKey of [3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
The InChIKey is HNLJCRZZEFKRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S2/c1-4-5-6-10-19-13-7-8-14(15(12-13)24-2)20-28(22,23)16-9-11-27-17(16)26-18(21)25-3/h7-9,11-12,19-20H,4-6,10H2,1-3H3.
What are the key properties of [3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate?
[3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate has a molecular weight of 428.53 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate is sourced from PubChem (CID 71092870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).