N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide

C19H27N3O4S2 — CID 55660126

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)c1ccsc1
InChIInChI=1S/C19H27N3O4S2/c1-5-22(6-2)16(15-9-10-27-13-15)12-21-19(23)14-7-8-17(26-4)18(11-14)28(24,25)20-3/h7-11,13,16,20H,5-6,12H2,1-4H3,(H,21,23)
InChIKeyCTXFACZSWSHRHL-UHFFFAOYSA-N
MW425.58 g/mol
LogP2.48
Rot. Bonds10

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 55660126) has the molecular formula C19H27N3O4S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID55660126
Molecular FormulaC19H27N3O4S2
Molecular Weight425.58 g/mol
Exact Mass425.14
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)c1ccsc1
InChIInChI=1S/C19H27N3O4S2/c1-5-22(6-2)16(15-9-10-27-13-15)12-21-19(23)14-7-8-17(26-4)18(11-14)28(24,25)20-3/h7-11,13,16,20H,5-6,12H2,1-4H3,(H,21,23)
InChIKeyCTXFACZSWSHRHL-UHFFFAOYSA-N
XLogP2.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55660315
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-nitrobenzamide
CID 32631383
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 40742236
5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
CID 52906915
N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 27514427
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide (CID 55660126) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide is CCN(CC)C(CNC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)c1ccsc1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is CTXFACZSWSHRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S2/c1-5-22(6-2)16(15-9-10-27-13-15)12-21-19(23)14-7-8-17(26-4)18(11-14)28(24,25)20-3/h7-11,13,16,20H,5-6,12H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 425.58 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55660126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).