N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide

C18H24N2O3S — CID 75509356

IUPACN-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(NC(C)CCc2ccc(O)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H24N2O3S/c1-13-4-9-16(12-18(13)20-24(3,22)23)19-14(2)5-6-15-7-10-17(21)11-8-15/h4,7-12,14,19-21H,5-6H2,1-3H3
InChIKeyURJPEPXTPKUGAW-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.51
Rot. Bonds7

About N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide

N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide (PubChem CID 75509356) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide
PubChem CID75509356
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(NC(C)CCc2ccc(O)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H24N2O3S/c1-13-4-9-16(12-18(13)20-24(3,22)23)19-14(2)5-6-15-7-10-17(21)11-8-15/h4,7-12,14,19-21H,5-6H2,1-3H3
InChIKeyURJPEPXTPKUGAW-UHFFFAOYSA-N
XLogP3.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-bromo-3-chloroanilino)butyl]phenol
CID 107618811
4-[3-(3,5-difluoroanilino)butyl]phenol
CID 43196014
3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide
CID 43202886
5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol
CID 107699770
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
CID 47079085
N-[5-[1-(2-methoxy-4-pyridinyl)propan-2-ylamino]-2-methylphenyl]methanesulfonamide
CID 127266985
4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol
CID 104862516
4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol
CID 104862530
3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide
CID 168974018
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide
CID 59878668

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide (CID 75509356) is N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide is Cc1ccc(NC(C)CCc2ccc(O)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide?
The InChIKey is URJPEPXTPKUGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-4-9-16(12-18(13)20-24(3,22)23)19-14(2)5-6-15-7-10-17(21)11-8-15/h4,7-12,14,19-21H,5-6H2,1-3H3.
What are the key properties of N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide?
N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 75509356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).