N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide

C15H23NO4S — CID 61254119

IUPACN-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)N(CC)C(C)COC)c1
InChIInChI=1S/C15H23NO4S/c1-5-15(17)13-8-7-9-14(10-13)21(18,19)16(6-2)12(3)11-20-4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyURGYCKWVYUIAOL-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.32
Rot. Bonds8

About N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide

N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide (PubChem CID 61254119) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
PubChem CID61254119
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)N(CC)C(C)COC)c1
InChIInChI=1S/C15H23NO4S/c1-5-15(17)13-8-7-9-14(10-13)21(18,19)16(6-2)12(3)11-20-4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyURGYCKWVYUIAOL-UHFFFAOYSA-N
XLogP2.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 54876161
N-methoxy-3-propanoyl-N-propylbenzenesulfonamide
CID 114277159
N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
CID 119983014
N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide
CID 61251839
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
3-[butan-2-yl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43274740
3-propanoylbenzenesulfonic acid
CID 148597255
N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide
CID 103887543
3-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060778
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propanoylbenzenesulfonamide
CID 79379246
4-[ethyl(1-methoxypropan-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60952297
2-amino-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 55043601

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide (CID 61254119) is N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)N(CC)C(C)COC)c1.
What is the InChIKey of N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide?
The InChIKey is URGYCKWVYUIAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-15(17)13-8-7-9-14(10-13)21(18,19)16(6-2)12(3)11-20-4/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide?
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 61254119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).