5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide

C15H17ClN2O5S2 — CID 91631065

IUPAC5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCC(OC)c2ccc(Cl)s2)cc1C(N)=O
InChIInChI=1S/C15H17ClN2O5S2/c1-22-11-4-3-9(7-10(11)15(17)19)25(20,21)18-8-12(23-2)13-5-6-14(16)24-13/h3-7,12,18H,8H2,1-2H3,(H2,17,19)
InChIKeyBGOBWELATGPYEX-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.17
Rot. Bonds8

About 5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide

5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide (PubChem CID 91631065) has the molecular formula C15H17ClN2O5S2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide
PubChem CID91631065
Molecular FormulaC15H17ClN2O5S2
Molecular Weight404.90 g/mol
Exact Mass404.03
IUPAC Name5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NCC(OC)c2ccc(Cl)s2)cc1C(N)=O
InChIInChI=1S/C15H17ClN2O5S2/c1-22-11-4-3-9(7-10(11)15(17)19)25(20,21)18-8-12(23-2)13-5-6-14(16)24-13/h3-7,12,18H,8H2,1-2H3,(H2,17,19)
InChIKeyBGOBWELATGPYEX-UHFFFAOYSA-N
XLogP2.17
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide
CID 121180263
3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417524
5-[[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]sulfamoyl]-2-methoxybenzamide
CID 121023366
5-[2,2-bis(furan-2-yl)ethylsulfamoyl]-2-methoxybenzamide
CID 131703692
5-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methoxybenzamide
CID 121180146
5-[(2-chlorophenyl)methylsulfamoyl]-2-methoxybenzamide
CID 34029898
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100730087
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 100729826
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91631063
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 100729967

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide (CID 91631065) is 5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NCC(OC)c2ccc(Cl)s2)cc1C(N)=O.
What is the InChIKey of 5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide?
The InChIKey is BGOBWELATGPYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5S2/c1-22-11-4-3-9(7-10(11)15(17)19)25(20,21)18-8-12(23-2)13-5-6-14(16)24-13/h3-7,12,18H,8H2,1-2H3,(H2,17,19).
What are the key properties of 5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide?
5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide has a molecular weight of 404.90 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 91631065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).