ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate

C21H29N3O6S2 — CID 30126262

IUPACethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C21H29N3O6S2/c1-4-24(5-2)32(28,29)20-11-7-17(8-12-20)15-16-22-31(26,27)19-13-9-18(10-14-19)23-21(25)30-6-3/h7-14,22H,4-6,15-16H2,1-3H3,(H,23,25)
InChIKeySFZGPNZOBRJCKW-UHFFFAOYSA-N
MW483.61 g/mol
LogP2.81
Rot. Bonds11

About ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate

ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate (PubChem CID 30126262) has the molecular formula C21H29N3O6S2 and a molecular weight of 483.61 g/mol. Its IUPAC name is ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate
PubChem CID30126262
Molecular FormulaC21H29N3O6S2
Molecular Weight483.61 g/mol
Exact Mass483.15
IUPAC Nameethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C21H29N3O6S2/c1-4-24(5-2)32(28,29)20-11-7-17(8-12-20)15-16-22-31(26,27)19-13-9-18(10-14-19)23-21(25)30-6-3/h7-14,22H,4-6,15-16H2,1-3H3,(H,23,25)
InChIKeySFZGPNZOBRJCKW-UHFFFAOYSA-N
XLogP2.81
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-oxo-2-[4-(2-phenylethylsulfamoyl)anilino]acetate
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3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
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N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 30127290
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 24640292
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
CID 110778736
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2434657
ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate
CID 57249051
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
CID 112984125
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate (CID 30126262) is ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate?
The InChIKey is SFZGPNZOBRJCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O6S2/c1-4-24(5-2)32(28,29)20-11-7-17(8-12-20)15-16-22-31(26,27)19-13-9-18(10-14-19)23-21(25)30-6-3/h7-14,22H,4-6,15-16H2,1-3H3,(H,23,25).
What are the key properties of ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate?
ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate has a molecular weight of 483.61 g/mol, XLogP of 2.81, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-[4-(diethylsulfamoyl)phenyl]ethylsulfamoyl]phenyl]carbamate is sourced from PubChem (CID 30126262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).