N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide

C7H16N2O4S — CID 54324097

IUPACN-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide
SMILESCOCC(CCS(N)(=O)=O)NC(C)=O
InChIInChI=1S/C7H16N2O4S/c1-6(10)9-7(5-13-2)3-4-14(8,11)12/h7H,3-5H2,1-2H3,(H,9,10)(H2,8,11,12)
InChIKeySTRQPBYFLRNZGX-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.18
Rot. Bonds6

About N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide

N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide (PubChem CID 54324097) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide
PubChem CID54324097
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC NameN-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide
SMILESCOCC(CCS(N)(=O)=O)NC(C)=O
InChIInChI=1S/C7H16N2O4S/c1-6(10)9-7(5-13-2)3-4-14(8,11)12/h7H,3-5H2,1-2H3,(H,9,10)(H2,8,11,12)
InChIKeySTRQPBYFLRNZGX-UHFFFAOYSA-N
XLogP-1.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propanoylsulfamoyl)-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 57740859
N-[2-(2-ethoxyethoxy)ethyl]-3-(methylsulfamoyl)propanamide
CID 90428996
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylacetamide
CID 155189257
2-methyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
CID 155402148
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N,2-dimethylpropanamide
CID 155405417
N-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfonyl]acetamide
CID 155455154
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]acetamide
CID 155455170
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-N-methylpropanamide;molecular hydrogen
CID 155750770
N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
CID 156523751
N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide;molecular hydrogen
CID 166461440
methyl-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]carbamothioic S-acid
CID 166678844
N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide
CID 166753111

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide?
The IUPAC name of N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide (CID 54324097) is N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide.
What is the SMILES notation for N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide?
The canonical SMILES for N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide is COCC(CCS(N)(=O)=O)NC(C)=O.
What is the InChIKey of N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide?
The InChIKey is STRQPBYFLRNZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-6(10)9-7(5-13-2)3-4-14(8,11)12/h7H,3-5H2,1-2H3,(H,9,10)(H2,8,11,12).
What are the key properties of N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide?
N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide has a molecular weight of 224.28 g/mol, XLogP of -1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-4-sulfamoylbutan-2-yl)acetamide is sourced from PubChem (CID 54324097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).