1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide

C19H26N2O2S — CID 119122181

IUPAC1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCc1ccc(CNCc2ccccc2CS(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C19H26N2O2S/c1-15(2)21-24(22,23)14-19-7-5-4-6-18(19)13-20-12-17-10-8-16(3)9-11-17/h4-11,15,20-21H,12-14H2,1-3H3
InChIKeyAQAZCDZKAGRCID-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.11
Rot. Bonds8

About 1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide

1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 119122181) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
PubChem CID119122181
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCc1ccc(CNCc2ccccc2CS(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C19H26N2O2S/c1-15(2)21-24(22,23)14-19-7-5-4-6-18(19)13-20-12-17-10-8-16(3)9-11-17/h4-11,15,20-21H,12-14H2,1-3H3
InChIKeyAQAZCDZKAGRCID-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 17416351
2-[(4-methylphenyl)methylsulfanyl]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33452266
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
1-[2-[[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 119122133
N-propan-2-yl-1-[2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenyl]methanesulfonamide
CID 119122185
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 119110268
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
2-[4-(4-methylphenoxy)phenoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 24633534
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111132029
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
3-(4-methylphenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55461142
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide (CID 119122181) is 1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide is Cc1ccc(CNCc2ccccc2CS(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is AQAZCDZKAGRCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-15(2)21-24(22,23)14-19-7-5-4-6-18(19)13-20-12-17-10-8-16(3)9-11-17/h4-11,15,20-21H,12-14H2,1-3H3.
What are the key properties of 1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 119122181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).