N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide

C17H26N2O3S — CID 31540675

IUPACN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C=C(C)C)cc1
InChIInChI=1S/C17H26N2O3S/c1-6-19(7-2)23(21,22)16-10-8-15(9-11-16)14(5)18-17(20)12-13(3)4/h8-12,14H,6-7H2,1-5H3,(H,18,20)/t14-/m0/s1
InChIKeyIMYFXMQHYMDRIP-AWEZNQCLSA-N
MW338.47 g/mol
LogP2.86
Rot. Bonds7

About N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide

N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide (PubChem CID 31540675) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
PubChem CID31540675
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C=C(C)C)cc1
InChIInChI=1S/C17H26N2O3S/c1-6-19(7-2)23(21,22)16-10-8-15(9-11-16)14(5)18-17(20)12-13(3)4/h8-12,14H,6-7H2,1-5H3,(H,18,20)/t14-/m0/s1
InChIKeyIMYFXMQHYMDRIP-AWEZNQCLSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9246720
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834
(E)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 55338990
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
1-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 52535105
N-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide?
The IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide (CID 31540675) is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide is CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C=C(C)C)cc1.
What is the InChIKey of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide?
The InChIKey is IMYFXMQHYMDRIP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-6-19(7-2)23(21,22)16-10-8-15(9-11-16)14(5)18-17(20)12-13(3)4/h8-12,14H,6-7H2,1-5H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide?
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide has a molecular weight of 338.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide is sourced from PubChem (CID 31540675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).