N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

C21H23N3O3S — CID 24612098

IUPACN,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1-n1cccc1
InChIInChI=1S/C21H23N3O3S/c1-15-6-7-18(14-20(15)24-12-4-5-13-24)21(25)23(3)16(2)17-8-10-19(11-9-17)28(22,26)27/h4-14,16H,1-3H3,(H2,22,26,27)
InChIKeyVGSPFZODHQYHLG-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.27
Rot. Bonds5

About N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 24612098) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID24612098
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1-n1cccc1
InChIInChI=1S/C21H23N3O3S/c1-15-6-7-18(14-20(15)24-12-4-5-13-24)21(25)23(3)16(2)17-8-10-19(11-9-17)28(22,26)27/h4-14,16H,1-3H3,(H2,22,26,27)
InChIKeyVGSPFZODHQYHLG-UHFFFAOYSA-N
XLogP3.27
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51254300
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 41113907
N,3-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 34734892
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46642308

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (CID 24612098) is N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is Cc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1-n1cccc1.
What is the InChIKey of N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is VGSPFZODHQYHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-6-7-18(14-20(15)24-12-4-5-13-24)21(25)23(3)16(2)17-8-10-19(11-9-17)28(22,26)27/h4-14,16H,1-3H3,(H2,22,26,27).
What are the key properties of N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 397.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 24612098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).