1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene

C18H24N2O3S — CID 110288466

IUPAC1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene
SMILESCOc1ccc(CC(CNS(=O)(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H24N2O3S/c1-20(2)24(21,22)19-14-17(16-7-5-4-6-8-16)13-15-9-11-18(23-3)12-10-15/h4-12,17,19H,13-14H2,1-3H3
InChIKeyBNXMITDRLMCFLD-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.42
Rot. Bonds8

About 1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene

1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene (PubChem CID 110288466) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene
PubChem CID110288466
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene
SMILESCOc1ccc(CC(CNS(=O)(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H24N2O3S/c1-20(2)24(21,22)19-14-17(16-7-5-4-6-8-16)13-15-9-11-18(23-3)12-10-15/h4-12,17,19H,13-14H2,1-3H3
InChIKeyBNXMITDRLMCFLD-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-2-phenyl-N-(propylsulfamoyl)propan-1-amine
CID 110627484
1-[4-(dimethylsulfamoylamino)butyl]-4-methoxybenzene
CID 110288832
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
2-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)sulfonylethyl]furan
CID 110315122
4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine
CID 112502616
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
N-[3-(4-methoxyphenyl)-2-phenylpropyl]-1,3-benzodioxole-5-carboxamide
CID 110288459
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
[(2R)-2,3-bis(4-methoxyphenyl)propyl] methanesulfonate
CID 129384796
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene?
The IUPAC name of 1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene (CID 110288466) is 1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene.
What is the SMILES notation for 1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene?
The canonical SMILES for 1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene is COc1ccc(CC(CNS(=O)(=O)N(C)C)c2ccccc2)cc1.
What is the InChIKey of 1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene?
The InChIKey is BNXMITDRLMCFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-20(2)24(21,22)19-14-17(16-7-5-4-6-8-16)13-15-9-11-18(23-3)12-10-15/h4-12,17,19H,13-14H2,1-3H3.
What are the key properties of 1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene?
1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene has a molecular weight of 348.47 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoylamino)-2-phenylpropyl]-4-methoxybenzene is sourced from PubChem (CID 110288466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).