2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide

C19H26N2O3S — CID 13106303

IUPAC2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide
SMILESCc1ccccc1OCC(C)NCCc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C19H26N2O3S/c1-14-6-4-5-7-18(14)24-13-16(3)21-11-10-17-9-8-15(2)19(12-17)25(20,22)23/h4-9,12,16,21H,10-11,13H2,1-3H3,(H2,20,22,23)
InChIKeyAESBTJUTEAXINP-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.55
Rot. Bonds8

About 2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide

2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide (PubChem CID 13106303) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide
PubChem CID13106303
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide
SMILESCc1ccccc1OCC(C)NCCc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C19H26N2O3S/c1-14-6-4-5-7-18(14)24-13-16(3)21-11-10-17-9-8-15(2)19(12-17)25(20,22)23/h4-9,12,16,21H,10-11,13H2,1-3H3,(H2,20,22,23)
InChIKeyAESBTJUTEAXINP-UHFFFAOYSA-N
XLogP2.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
CID 13106291
5-[1-hydroxy-2-[1-(2-methoxyphenoxy)propan-2-ylamino]ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 23347166
5-[2-[[1-(2-methoxyphenoxy)-2-methylpropan-2-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 13106309
5-[2-[1-(2,3-dimethoxyphenoxy)propan-2-ylamino]-1-hydroxyethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 23347187
1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
CID 60688548
4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide
CID 100692263
5-[3-(benzenesulfonyl)propyl]-2-methylbenzenesulfonamide
CID 90685872
N-[4-[2-[methyl-[1-(2-methylphenoxy)propan-2-yl]amino]ethyl]phenyl]methanesulfonamide
CID 21182012
1,3-bis(2-methylphenoxy)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 58735148
5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 70876190
3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132658147
2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
CID 96869335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide (CID 13106303) is 2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide is Cc1ccccc1OCC(C)NCCc1ccc(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide?
The InChIKey is AESBTJUTEAXINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-14-6-4-5-7-18(14)24-13-16(3)21-11-10-17-9-8-15(2)19(12-17)25(20,22)23/h4-9,12,16,21H,10-11,13H2,1-3H3,(H2,20,22,23).
What are the key properties of 2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide?
2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[1-(2-methylphenoxy)propan-2-ylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 13106303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).