N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide

C18H24N2O5S — CID 99872727

IUPACN-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccco2)c(C)c1
InChIInChI=1S/C18H24N2O5S/c1-4-17(21)20-14-7-8-16(13(2)10-14)26(23,24)19-12-18(3,22)11-15-6-5-9-25-15/h5-10,19,22H,4,11-12H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyKYOUZNWZBXXIMP-SFHVURJKSA-N
MW380.47 g/mol
LogP2.21
Rot. Bonds8

About N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide

N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide (PubChem CID 99872727) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide
PubChem CID99872727
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccco2)c(C)c1
InChIInChI=1S/C18H24N2O5S/c1-4-17(21)20-14-7-8-16(13(2)10-14)26(23,24)19-12-18(3,22)11-15-6-5-9-25-15/h5-10,19,22H,4,11-12H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyKYOUZNWZBXXIMP-SFHVURJKSA-N
XLogP2.21
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 99872683
N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide
CID 16888232
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 90605128
3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 90605118
N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
CID 90558454
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90605173
N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 97104756
N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide
CID 71781629
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
CID 39791883
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90605178
N-[4-[[2-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-3-methylphenyl]acetamide
CID 121145655
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide?
The IUPAC name of N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide (CID 99872727) is N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccco2)c(C)c1.
What is the InChIKey of N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide?
The InChIKey is KYOUZNWZBXXIMP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-4-17(21)20-14-7-8-16(13(2)10-14)26(23,24)19-12-18(3,22)11-15-6-5-9-25-15/h5-10,19,22H,4,11-12H2,1-3H3,(H,20,21)/t18-/m0/s1.
What are the key properties of N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide?
N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide has a molecular weight of 380.47 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide is sourced from PubChem (CID 99872727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).