2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide

C19H25N3O3S — CID 75455956

IUPAC2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CNC(C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C19H25N3O3S/c1-14-7-4-5-8-17(14)12-21-19(23)13-20-15(2)16-9-6-10-18(11-16)22-26(3,24)25/h4-11,15,20,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyHEQMGLMLRJWSNC-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.33
Rot. Bonds8

About 2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide

2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 75455956) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID75455956
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CNC(C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C19H25N3O3S/c1-14-7-4-5-8-17(14)12-21-19(23)13-20-15(2)16-9-6-10-18(11-16)22-26(3,24)25/h4-11,15,20,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyHEQMGLMLRJWSNC-UHFFFAOYSA-N
XLogP2.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816
N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide
CID 61274883
N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367300
N-[(2-fluorophenyl)methyl]-2-(1-phenylethylamino)acetamide
CID 78695034
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
N-[3-[(1S)-1-[[4-(cyanomethyl)phenyl]methylamino]ethyl]phenyl]methanesulfonamide
CID 100638212
N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 95178243
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 55666139
3-(2,3-dimethylphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55711377

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide (CID 75455956) is 2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CNC(C)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is HEQMGLMLRJWSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-7-4-5-8-17(14)12-21-19(23)13-20-15(2)16-9-6-10-18(11-16)22-26(3,24)25/h4-11,15,20,22H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide?
2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 75455956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).