N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide

C17H23N3O4S — CID 71781629

IUPACN-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCC(O)c2cccn2C)c(C)c1
InChIInChI=1S/C17H23N3O4S/c1-4-17(22)19-13-7-8-16(12(2)10-13)25(23,24)18-11-15(21)14-6-5-9-20(14)3/h5-10,15,18,21H,4,11H2,1-3H3,(H,19,22)
InChIKeyWWEGWFLBPPDRNP-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.69
Rot. Bonds7

About N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide

N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide (PubChem CID 71781629) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide
PubChem CID71781629
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCC(O)c2cccn2C)c(C)c1
InChIInChI=1S/C17H23N3O4S/c1-4-17(22)19-13-7-8-16(12(2)10-13)25(23,24)18-11-15(21)14-6-5-9-20(14)3/h5-10,15,18,21H,4,11H2,1-3H3,(H,19,22)
InChIKeyWWEGWFLBPPDRNP-UHFFFAOYSA-N
XLogP1.69
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 97104756
2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
CID 95982562
4-ethoxy-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 71781621
4-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 90496301
N-[4-[(3-hydroxy-3-thiophen-3-ylpropyl)sulfamoyl]-3-methylphenyl]propanamide
CID 121132251
N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide
CID 16932779
N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
CID 90558454
N-[3-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887567
N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 99872727
1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea
CID 90496420
3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
CID 71781618
1-(3,4-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 95982618

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide?
The IUPAC name of N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide (CID 71781629) is N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCC(O)c2cccn2C)c(C)c1.
What is the InChIKey of N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide?
The InChIKey is WWEGWFLBPPDRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-4-17(22)19-13-7-8-16(12(2)10-13)25(23,24)18-11-15(21)14-6-5-9-20(14)3/h5-10,15,18,21H,4,11H2,1-3H3,(H,19,22).
What are the key properties of N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide?
N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide has a molecular weight of 365.46 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide is sourced from PubChem (CID 71781629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).