3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde

C20H26N2O3S — CID 143405938

IUPAC3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde
SMILESCCC(Cc1ccccc1)c1cc(C=O)cc(N(C)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H26N2O3S/c1-5-18(11-16-9-7-6-8-10-16)19-12-17(15-23)13-20(14-19)22(4)26(24,25)21(2)3/h6-10,12-15,18H,5,11H2,1-4H3
InChIKeyMQUCHSHCCSCHNH-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.48
Rot. Bonds8

About 3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde

3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde (PubChem CID 143405938) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde.

Molecular Properties

Compound Name3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde
PubChem CID143405938
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde
SMILESCCC(Cc1ccccc1)c1cc(C=O)cc(N(C)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H26N2O3S/c1-5-18(11-16-9-7-6-8-10-16)19-12-17(15-23)13-20(14-19)22(4)26(24,25)21(2)3/h6-10,12-15,18H,5,11H2,1-4H3
InChIKeyMQUCHSHCCSCHNH-UHFFFAOYSA-N
XLogP3.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
4-[dimethylsulfamoyl(methyl)amino]-N-(4-phenylbutan-2-yl)benzamide
CID 132763060
1-ethenyl-4-(2-phenylbutyl)benzene
CID 175031243
1-benzyl-2-(1-phenylbutan-2-yl)benzene
CID 173399108
(2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine
CID 143406017
1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163
2-methyl-3,4-diphenylbutanal
CID 155047824
3-[benzyl(ethyl)amino]benzaldehyde
CID 84758568
3-[2-benzyl-4-(dimethylamino)phenyl]sulfonyl-2,2-dimethylpropanal
CID 59962532
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
2-(dimethylamino)-3-phenylpropanal
CID 19361863
3-[(N-methylanilino)methyl]benzaldehyde
CID 122476125

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde?
The IUPAC name of 3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde (CID 143405938) is 3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde.
What is the SMILES notation for 3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde?
The canonical SMILES for 3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde is CCC(Cc1ccccc1)c1cc(C=O)cc(N(C)S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde?
The InChIKey is MQUCHSHCCSCHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-18(11-16-9-7-6-8-10-16)19-12-17(15-23)13-20(14-19)22(4)26(24,25)21(2)3/h6-10,12-15,18H,5,11H2,1-4H3.
What are the key properties of 3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde?
3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde has a molecular weight of 374.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsulfamoyl(methyl)amino]-5-(1-phenylbutan-2-yl)benzaldehyde is sourced from PubChem (CID 143405938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).