N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide

C19H21N3O3S — CID 33318428

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-13-21-26(24,25)18-11-7-16(8-12-18)19(23)20-14-15-5-9-17(10-6-15)22(2)3/h1,5-12,21H,13-14H2,2-3H3,(H,20,23)
InChIKeyLBMWVOFTOURZLV-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.59
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide

N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 33318428) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID33318428
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-13-21-26(24,25)18-11-7-16(8-12-18)19(23)20-14-15-5-9-17(10-6-15)22(2)3/h1,5-12,21H,13-14H2,2-3H3,(H,20,23)
InChIKeyLBMWVOFTOURZLV-UHFFFAOYSA-N
XLogP1.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792
4-(prop-2-ynylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 33322312
N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 60618856
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021
N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43059176
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 49390939
4-[(N-benzylanilino)carbamoyl]-N-prop-2-ynylbenzenesulfonamide
CID 39476642
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55694556

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide (CID 33318428) is N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is LBMWVOFTOURZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-13-21-26(24,25)18-11-7-16(8-12-18)19(23)20-14-15-5-9-17(10-6-15)22(2)3/h1,5-12,21H,13-14H2,2-3H3,(H,20,23).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 371.46 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 33318428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).