N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide

C19H24N2O4S — CID 97104756

IUPACN-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O4S/c1-3-19(23)21-16-9-10-18(14(2)13-16)26(24,25)20-12-11-17(22)15-7-5-4-6-8-15/h4-10,13,17,20,22H,3,11-12H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyYHCHMLBOSOUBRJ-KRWDZBQOSA-N
MW376.48 g/mol
LogP2.75
Rot. Bonds8

About N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide

N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide (PubChem CID 97104756) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide
PubChem CID97104756
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O4S/c1-3-19(23)21-16-9-10-18(14(2)13-16)26(24,25)20-12-11-17(22)15-7-5-4-6-8-15/h4-10,13,17,20,22H,3,11-12H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyYHCHMLBOSOUBRJ-KRWDZBQOSA-N
XLogP2.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-hydroxy-3-thiophen-3-ylpropyl)sulfamoyl]-3-methylphenyl]propanamide
CID 121132251
N-[4-[[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]sulfamoyl]-3-methylphenyl]propanamide
CID 71781629
N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
CID 90558454
N-[4-[[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]sulfamoyl]-3-methylphenyl]acetamide
CID 71804583
N-(3,4-dimethylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
CID 124749856
(1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol
CID 94271417
N-[4-[(2-hydroxy-2-phenylacetyl)amino]phenyl]propanamide
CID 110895297
N-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]-3-methylphenyl]propanamide
CID 16932779
4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
CID 71782271
N-[3-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887567
N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
CID 43677310
N-[4-[[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]sulfamoyl]-3-methylphenyl]propanamide
CID 99872727

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide?
The IUPAC name of N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide (CID 97104756) is N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2ccccc2)c(C)c1.
What is the InChIKey of N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide?
The InChIKey is YHCHMLBOSOUBRJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-19(23)21-16-9-10-18(14(2)13-16)26(24,25)20-12-11-17(22)15-7-5-4-6-8-15/h4-10,13,17,20,22H,3,11-12H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide?
N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide has a molecular weight of 376.48 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S)-3-hydroxy-3-phenylpropyl]sulfamoyl]-3-methylphenyl]propanamide is sourced from PubChem (CID 97104756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).