N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide

C26H31N3O4S — CID 24536279

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(c3ccccc3)N(C)C)ccc2OC)cc1
InChIInChI=1S/C26H31N3O4S/c1-5-19-11-14-22(15-12-19)28-34(31,32)25-17-21(13-16-24(25)33-4)26(30)27-18-23(29(2)3)20-9-7-6-8-10-20/h6-17,23,28H,5,18H2,1-4H3,(H,27,30)
InChIKeyQKDNLMMUFOFUGC-UHFFFAOYSA-N
MW481.62 g/mol
LogP4.09
Rot. Bonds10

About N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide

N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide (PubChem CID 24536279) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
PubChem CID24536279
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(c3ccccc3)N(C)C)ccc2OC)cc1
InChIInChI=1S/C26H31N3O4S/c1-5-19-11-14-22(15-12-19)28-34(31,32)25-17-21(13-16-24(25)33-4)26(30)27-18-23(29(2)3)20-9-7-6-8-10-20/h6-17,23,28H,5,18H2,1-4H3,(H,27,30)
InChIKeyQKDNLMMUFOFUGC-UHFFFAOYSA-N
XLogP4.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536278
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25466923
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 46522678
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 24538441
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide
CID 24660944
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42917067
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24595720
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130
3-(cyclopropylsulfamoyl)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525938
3-(cyclopropylsulfamoyl)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525933

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide (CID 24536279) is N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide is CCc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(c3ccccc3)N(C)C)ccc2OC)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide?
The InChIKey is QKDNLMMUFOFUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-5-19-11-14-22(15-12-19)28-34(31,32)25-17-21(13-16-24(25)33-4)26(30)27-18-23(29(2)3)20-9-7-6-8-10-20/h6-17,23,28H,5,18H2,1-4H3,(H,27,30).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide?
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide has a molecular weight of 481.62 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide is sourced from PubChem (CID 24536279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).