N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide

C19H23N3O4S2 — CID 55905942

IUPACN-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCc1cc(C#N)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)s1
InChIInChI=1S/C19H23N3O4S2/c1-5-15-10-14(12-20)19(27-15)21-18(23)13-8-9-16(26-4)17(11-13)28(24,25)22(6-2)7-3/h8-11H,5-7H2,1-4H3,(H,21,23)
InChIKeyVKFHGUHDUGSXGY-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.47
Rot. Bonds8

About N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide

N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide (PubChem CID 55905942) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
PubChem CID55905942
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCc1cc(C#N)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)s1
InChIInChI=1S/C19H23N3O4S2/c1-5-15-10-14(12-20)19(27-15)21-18(23)13-8-9-16(26-4)17(11-13)28(24,25)22(6-2)7-3/h8-11H,5-7H2,1-4H3,(H,21,23)
InChIKeyVKFHGUHDUGSXGY-UHFFFAOYSA-N
XLogP3.47
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55906470
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 49182836
N-(dicyclopropylmethyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 24620703
3-(diethylsulfamoyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 18106773
4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
CID 8914920
3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 26251702
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 43874005
N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55905047
3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402509
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide (CID 55905942) is N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide is CCc1cc(C#N)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)s1.
What is the InChIKey of N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is VKFHGUHDUGSXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-5-15-10-14(12-20)19(27-15)21-18(23)13-8-9-16(26-4)17(11-13)28(24,25)22(6-2)7-3/h8-11H,5-7H2,1-4H3,(H,21,23).
What are the key properties of N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 421.54 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 55905942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).