N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C17H21N3O5S2 — CID 55955115

IUPACN-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)cc1OC
InChIInChI=1S/C17H21N3O5S2/c1-4-27(23,24)20-13-7-6-12(9-14(13)25-3)19-16(21)10-18-17(22)15-8-5-11(2)26-15/h5-9,20H,4,10H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyJQYANQMPPAVYFK-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.20
Rot. Bonds8

About N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 55955115) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID55955115
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC NameN-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)cc1OC
InChIInChI=1S/C17H21N3O5S2/c1-4-27(23,24)20-13-7-6-12(9-14(13)25-3)19-16(21)10-18-17(22)15-8-5-11(2)26-15/h5-9,20H,4,10H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyJQYANQMPPAVYFK-UHFFFAOYSA-N
XLogP2.20
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4876435
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17476660
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 36542894
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18108028
5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 55346126
4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 55956522
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(3-fluorophenyl)acetamide
CID 55947951
(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide
CID 97456217
N-[2-[3-[(3-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 42992241

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 55955115) is N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)cc1OC.
What is the InChIKey of N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is JQYANQMPPAVYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-4-27(23,24)20-13-7-6-12(9-14(13)25-3)19-16(21)10-18-17(22)15-8-5-11(2)26-15/h5-9,20H,4,10H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 55955115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).