N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide

C27H50N2O3SSi — CID 57266704

IUPACN-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide
SMILESC[Si](C)(C)CCCCCCCCCCCCCCCCNc1ccc(C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C27H50N2O3SSi/c1-33(31,32)29-27(30)25-19-21-26(22-20-25)28-23-17-15-13-11-9-7-5-6-8-10-12-14-16-18-24-34(2,3)4/h19-22,28H,5-18,23-24H2,1-4H3,(H,29,30)
InChIKeyPAAWFZVSMPPVDF-UHFFFAOYSA-N
MW510.86 g/mol
LogP7.59
Rot. Bonds20

About N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide

N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide (PubChem CID 57266704) has the molecular formula C27H50N2O3SSi and a molecular weight of 510.86 g/mol. Its IUPAC name is N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide.

Molecular Properties

Compound NameN-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide
PubChem CID57266704
Molecular FormulaC27H50N2O3SSi
Molecular Weight510.86 g/mol
Exact Mass510.33
IUPAC NameN-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide
SMILESC[Si](C)(C)CCCCCCCCCCCCCCCCNc1ccc(C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C27H50N2O3SSi/c1-33(31,32)29-27(30)25-19-21-26(22-20-25)28-23-17-15-13-11-9-7-5-6-8-10-12-14-16-18-24-34(2,3)4/h19-22,28H,5-18,23-24H2,1-4H3,(H,29,30)
InChIKeyPAAWFZVSMPPVDF-UHFFFAOYSA-N
XLogP7.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.86
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(15,15-difluorohexadecylamino)-N-methylsulfonylbenzamide
CID 54249769
N-ethyl-4-(hexylamino)benzamide
CID 43728484
N-(4-trimethylsilylbutyl)aniline
CID 172713134
ethyl 3-[4-(14-trimethylsilyltetradecylamino)phenyl]prop-2-enoate
CID 54047966
N-(benzenesulfonyl)-4-[16-(methanesulfonamido)hexadec-4-ynylamino]benzamide
CID 57073431
N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide
CID 53361066
N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide
CID 111778041
ethyl 4-[14-[tert-butyl(dimethyl)silyl]tetradecylamino]benzoate
CID 56984588
N-pentyl-4-(propylamino)benzamide
CID 62185567
4-(4-methoxybutylamino)benzoic acid
CID 62232205
4-(heptylamino)-N-propan-2-ylbenzamide
CID 60935201
4-[8-(4-chloroanilino)octylamino]benzoic acid
CID 57083445

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide?
The IUPAC name of N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide (CID 57266704) is N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide.
What is the SMILES notation for N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide?
The canonical SMILES for N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide is C[Si](C)(C)CCCCCCCCCCCCCCCCNc1ccc(C(=O)NS(C)(=O)=O)cc1.
What is the InChIKey of N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide?
The InChIKey is PAAWFZVSMPPVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N2O3SSi/c1-33(31,32)29-27(30)25-19-21-26(22-20-25)28-23-17-15-13-11-9-7-5-6-8-10-12-14-16-18-24-34(2,3)4/h19-22,28H,5-18,23-24H2,1-4H3,(H,29,30).
What are the key properties of N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide?
N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide has a molecular weight of 510.86 g/mol, XLogP of 7.59, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-4-(16-trimethylsilylhexadecylamino)benzamide is sourced from PubChem (CID 57266704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).