N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide

C14H20N2O4S — CID 123829331

IUPACN-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)C=CN(C)C)c(O)c1
InChIInChI=1S/C14H20N2O4S/c1-5-21(19,20)16(4)11-6-7-12(14(18)10-11)13(17)8-9-15(2)3/h6-10,18H,5H2,1-4H3
InChIKeyXURDCQYBSFCPIX-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.44
Rot. Bonds6

About N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide

N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide (PubChem CID 123829331) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide
PubChem CID123829331
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)C=CN(C)C)c(O)c1
InChIInChI=1S/C14H20N2O4S/c1-5-21(19,20)16(4)11-6-7-12(14(18)10-11)13(17)8-9-15(2)3/h6-10,18H,5H2,1-4H3
InChIKeyXURDCQYBSFCPIX-UHFFFAOYSA-N
XLogP1.44
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Diethylamino)-2-hydroxybenzaldehyde
CID 87293
4-(Dimethylamino)-2-hydroxybenzaldehyde
CID 9815305
4-(Dimethylamino)salicylic acid
CID 89978
4-(Diethylamino)-2-hydroxybenzoic acid
CID 89977
1-[4-(Dimethylamino)-2-hydroxyphenyl]ethan-1-one
CID 13782798
4-(Dibutylamino)salicylaldehyde
CID 18534534
4-(4-fluoro-N-isobutylphenyl-sulfonamido)-2-hydroxybenzoic acid
CID 126480831
2-hydroxy-4-(N-isobutylphenyl-sulfonamido) benzoic acid
CID 126480887
2-hydroxy-4-(N-isobutyl-4-methylphenyl-sulfonamido) benzoic acid
CID 126480894
1-[4-(Dimethylamino)-2-hydroxyphenyl]-3-phenyl-2-propen-1-one
CID 53425875
1,3-bis(4-(diethylamino)-2-hydroxyphenyl)-2,4-dihydroxy-cyclobutenediylium bis(inner salt)
CID 6193928
1,3-bis(4-(dimethylamino)-2-hydroxyphenyl)-2,4-dihydroxycyclobutenediylium dihydroxide, bis(inner salt)
CID 16212755

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide?
The IUPAC name of N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide (CID 123829331) is N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1ccc(C(=O)C=CN(C)C)c(O)c1.
What is the InChIKey of N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide?
The InChIKey is XURDCQYBSFCPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-5-21(19,20)16(4)11-6-7-12(14(18)10-11)13(17)8-9-15(2)3/h6-10,18H,5H2,1-4H3.
What are the key properties of N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide?
N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]-N-methylethanesulfonamide is sourced from PubChem (CID 123829331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).