N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

C26H31N3O4S — CID 24542716

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(Cc3ccccc3)N(C)C)c2)cc1
InChIInChI=1S/C26H31N3O4S/c1-4-33-24-15-13-22(14-16-24)28-34(31,32)25-12-8-11-21(18-25)26(30)27-19-23(29(2)3)17-20-9-6-5-7-10-20/h5-16,18,23,28H,4,17,19H2,1-3H3,(H,27,30)
InChIKeyULXKZMPEBSYCFS-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.79
Rot. Bonds11

About N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 24542716) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID24542716
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(Cc3ccccc3)N(C)C)c2)cc1
InChIInChI=1S/C26H31N3O4S/c1-4-33-24-15-13-22(14-16-24)28-34(31,32)25-12-8-11-21(18-25)26(30)27-19-23(29(2)3)17-20-9-6-5-7-10-20/h5-16,18,23,28H,4,17,19H2,1-3H3,(H,27,30)
InChIKeyULXKZMPEBSYCFS-UHFFFAOYSA-N
XLogP3.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542679
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55944966
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 47007180
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8794882
N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide
CID 55867643
N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide
CID 51169603
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 24542716) is N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(Cc3ccccc3)N(C)C)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is ULXKZMPEBSYCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-4-33-24-15-13-22(14-16-24)28-34(31,32)25-12-8-11-21(18-25)26(30)27-19-23(29(2)3)17-20-9-6-5-7-10-20/h5-16,18,23,28H,4,17,19H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 481.62 g/mol, XLogP of 3.79, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24542716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).