N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide

C15H21NO4S — CID 61251839

IUPACN-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)N(CCOC)C2CC2)c1
InChIInChI=1S/C15H21NO4S/c1-3-15(17)12-5-4-6-14(11-12)21(18,19)16(9-10-20-2)13-7-8-13/h4-6,11,13H,3,7-10H2,1-2H3
InChIKeyIMFWWNUIYRXBCU-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.08
Rot. Bonds8

About N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide

N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide (PubChem CID 61251839) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide
PubChem CID61251839
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)N(CCOC)C2CC2)c1
InChIInChI=1S/C15H21NO4S/c1-3-15(17)12-5-4-6-14(11-12)21(18,19)16(9-10-20-2)13-7-8-13/h4-6,11,13H,3,7-10H2,1-2H3
InChIKeyIMFWWNUIYRXBCU-UHFFFAOYSA-N
XLogP2.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61455432
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
3-[(3-acetylphenyl)sulfonyl-cyclopropylamino]propanoic acid
CID 60718163
N-methoxy-3-propanoyl-N-propylbenzenesulfonamide
CID 114277159
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61451779
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61109405
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136
3-[[cyclopropyl(2-methoxyethyl)sulfamoyl]methyl]benzoic acid
CID 60950870
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 35403081

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide (CID 61251839) is N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)N(CCOC)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide?
The InChIKey is IMFWWNUIYRXBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-15(17)12-5-4-6-14(11-12)21(18,19)16(9-10-20-2)13-7-8-13/h4-6,11,13H,3,7-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide?
N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 61251839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).