N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide

C18H24N2O5S — CID 71804583

IUPACN-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(O)c2cc(C)oc2C)c(C)c1
InChIInChI=1S/C18H24N2O5S/c1-11-9-15(20-14(4)21)5-6-18(11)26(23,24)19-8-7-17(22)16-10-12(2)25-13(16)3/h5-6,9-10,17,19,22H,7-8H2,1-4H3,(H,20,21)
InChIKeyUHHCBKSKAJUSBC-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.57
Rot. Bonds7

About N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide

N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide (PubChem CID 71804583) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide
PubChem CID71804583
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(O)c2cc(C)oc2C)c(C)c1
InChIInChI=1S/C18H24N2O5S/c1-11-9-15(20-14(4)21)5-6-18(11)26(23,24)19-8-7-17(22)16-10-12(2)25-13(16)3/h5-6,9-10,17,19,22H,7-8H2,1-4H3,(H,20,21)
InChIKeyUHHCBKSKAJUSBC-UHFFFAOYSA-N
XLogP2.57
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzenesulfonamide
CID 71804584
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide
CID 121133162
N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 97104756
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-4-nitrobenzenesulfonamide
CID 121133188
N-[4-[(3-hydroxy-3-thiophen-3-ylpropyl)sulfamoyl]-3-methylphenyl]propanamide
CID 121132251
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
CID 43739659
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
CID 121133057
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 121133041
N-[4-[[2-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-3-methylphenyl]acetamide
CID 121145655
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide (CID 71804583) is N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCC(O)c2cc(C)oc2C)c(C)c1.
What is the InChIKey of N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide?
The InChIKey is UHHCBKSKAJUSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-11-9-15(20-14(4)21)5-6-18(11)26(23,24)19-8-7-17(22)16-10-12(2)25-13(16)3/h5-6,9-10,17,19,22H,7-8H2,1-4H3,(H,20,21).
What are the key properties of N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide?
N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide is sourced from PubChem (CID 71804583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).