N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide

C23H27N3O3S2 — CID 4883576

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C23H27N3O3S2/c1-4-26(19-9-6-5-7-10-19)31(28,29)20-14-12-18(13-15-20)23(27)24-17-21(25(2)3)22-11-8-16-30-22/h5-16,21H,4,17H2,1-3H3,(H,24,27)
InChIKeyJZDDTZRMDBVAMT-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.00
Rot. Bonds9

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 4883576) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID4883576
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C23H27N3O3S2/c1-4-26(19-9-6-5-7-10-19)31(28,29)20-14-12-18(13-15-20)23(27)24-17-21(25(2)3)22-11-8-16-30-22/h5-16,21H,4,17H2,1-3H3,(H,24,27)
InChIKeyJZDDTZRMDBVAMT-UHFFFAOYSA-N
XLogP4.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide (CID 4883576) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is JZDDTZRMDBVAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-4-26(19-9-6-5-7-10-19)31(28,29)20-14-12-18(13-15-20)23(27)24-17-21(25(2)3)22-11-8-16-30-22/h5-16,21H,4,17H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 457.62 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4883576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).