N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide

C15H22N2O3S — CID 67195903

IUPACN-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide
SMILESCCN(c1cccc(C(=O)C=CN(C)C)c1)S(=O)(=O)CC
InChIInChI=1S/C15H22N2O3S/c1-5-17(21(19,20)6-2)14-9-7-8-13(12-14)15(18)10-11-16(3)4/h7-12H,5-6H2,1-4H3
InChIKeyBUIZMQRVIADAFT-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.12
Rot. Bonds7

About N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide

N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide (PubChem CID 67195903) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide
PubChem CID67195903
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide
SMILESCCN(c1cccc(C(=O)C=CN(C)C)c1)S(=O)(=O)CC
InChIInChI=1S/C15H22N2O3S/c1-5-17(21(19,20)6-2)14-9-7-8-13(12-14)15(18)10-11-16(3)4/h7-12H,5-6H2,1-4H3
InChIKeyBUIZMQRVIADAFT-UHFFFAOYSA-N
XLogP2.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide?
The IUPAC name of N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide (CID 67195903) is N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide?
The canonical SMILES for N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide is CCN(c1cccc(C(=O)C=CN(C)C)c1)S(=O)(=O)CC.
What is the InChIKey of N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide?
The InChIKey is BUIZMQRVIADAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-5-17(21(19,20)6-2)14-9-7-8-13(12-14)15(18)10-11-16(3)4/h7-12H,5-6H2,1-4H3.
What are the key properties of N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide?
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide is sourced from PubChem (CID 67195903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).