ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate

C15H25N3O5S2 — CID 55644253

IUPACethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)C(C)C
InChIInChI=1S/C15H25N3O5S2/c1-6-23-15(20)17-13(10(2)3)14(19)16-9-11-7-8-12(24-11)25(21,22)18(4)5/h7-8,10,13H,6,9H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyPSLYKWLNZTVQKH-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.39
Rot. Bonds8

About ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate

ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 55644253) has the molecular formula C15H25N3O5S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID55644253
Molecular FormulaC15H25N3O5S2
Molecular Weight391.52 g/mol
Exact Mass391.12
IUPAC Nameethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)C(C)C
InChIInChI=1S/C15H25N3O5S2/c1-6-23-15(20)17-13(10(2)3)14(19)16-9-11-7-8-12(24-11)25(21,22)18(4)5/h7-8,10,13H,6,9H2,1-5H3,(H,16,19)(H,17,20)
InChIKeyPSLYKWLNZTVQKH-UHFFFAOYSA-N
XLogP1.39
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 55644253) is ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate is CCOC(=O)NC(C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)C(C)C.
What is the InChIKey of ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is PSLYKWLNZTVQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S2/c1-6-23-15(20)17-13(10(2)3)14(19)16-9-11-7-8-12(24-11)25(21,22)18(4)5/h7-8,10,13H,6,9H2,1-5H3,(H,16,19)(H,17,20).
What are the key properties of ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate?
ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 391.52 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 55644253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).