N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide

C20H26FN3O3S — CID 86892169

IUPACN-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H26FN3O3S/c1-4-12-24(14-13-23(2)3)20(25)16-6-5-7-19(15-16)28(26,27)22-18-10-8-17(21)9-11-18/h5-11,15,22H,4,12-14H2,1-3H3
InChIKeySIJMOTXVQYKVFO-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.04
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide

N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide (PubChem CID 86892169) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide
PubChem CID86892169
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H26FN3O3S/c1-4-12-24(14-13-23(2)3)20(25)16-6-5-7-19(15-16)28(26,27)22-18-10-8-17(21)9-11-18/h5-11,15,22H,4,12-14H2,1-3H3
InChIKeySIJMOTXVQYKVFO-UHFFFAOYSA-N
XLogP3.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
N-[2-(dimethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9227015
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9409340
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 60598503
N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 38550193
N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide
CID 24982505

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide (CID 86892169) is N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide is CCCN(CCN(C)C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide?
The InChIKey is SIJMOTXVQYKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c1-4-12-24(14-13-23(2)3)20(25)16-6-5-7-19(15-16)28(26,27)22-18-10-8-17(21)9-11-18/h5-11,15,22H,4,12-14H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide?
N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide has a molecular weight of 407.51 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide is sourced from PubChem (CID 86892169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).