3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide

C16H23ClN2O4S — CID 55961666

IUPAC3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C=Cc1cc(Cl)ccc1OC
InChIInChI=1S/C16H23ClN2O4S/c1-4-24(21,22)19(2)11-5-10-18-16(20)9-6-13-12-14(17)7-8-15(13)23-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyXASMLTUSIMJORC-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.15
Rot. Bonds9

About 3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide

3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide (PubChem CID 55961666) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide
PubChem CID55961666
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C=Cc1cc(Cl)ccc1OC
InChIInChI=1S/C16H23ClN2O4S/c1-4-24(21,22)19(2)11-5-10-18-16(20)9-6-13-12-14(17)7-8-15(13)23-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyXASMLTUSIMJORC-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide
CID 75268042
(E)-N-[2-(carbamoylamino)ethyl]-3-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 75534745
(E)-3-(5-chloro-2-methoxyphenyl)-N-[(4-cyanophenyl)methyl]prop-2-enamide
CID 60531459
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 35742707
(E)-3-(5-bromo-2-methoxyphenyl)-N-(5-hydroxypentyl)prop-2-enamide
CID 107318684
methyl 2-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpentanoate
CID 60531581
(E)-N-[3-[3-(4-chlorobenzoyl)azetidin-1-yl]propyl]-3-(5-cyano-2-methoxyphenyl)prop-2-enamide
CID 10181591
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl chloride
CID 19317726
N-[4-(5-chloro-2-methoxyphenyl)but-3-enyl]acetamide
CID 170488539
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 17340973
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide (CID 55961666) is 3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide is CCS(=O)(=O)N(C)CCCNC(=O)C=Cc1cc(Cl)ccc1OC.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide?
The InChIKey is XASMLTUSIMJORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-4-24(21,22)19(2)11-5-10-18-16(20)9-6-13-12-14(17)7-8-15(13)23-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,20).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide?
3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide has a molecular weight of 374.89 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 55961666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).