N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide

C21H27N3O4S — CID 33258524

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C21H27N3O4S/c1-13-11-16(23-20(27)21(2,3)4)29-18(13)19(26)22-14-7-9-15(10-8-14)28-12-17(25)24(5)6/h7-11H,12H2,1-6H3,(H,22,26)(H,23,27)
InChIKeyHLWSPDYPQNJVJR-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.76
Rot. Bonds6

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide (PubChem CID 33258524) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
PubChem CID33258524
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C21H27N3O4S/c1-13-11-16(23-20(27)21(2,3)4)29-18(13)19(26)22-14-7-9-15(10-8-14)28-12-17(25)24(5)6/h7-11H,12H2,1-6H3,(H,22,26)(H,23,27)
InChIKeyHLWSPDYPQNJVJR-UHFFFAOYSA-N
XLogP3.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 86963350
N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 55784186
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide
CID 46678103
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 33218047
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 17467558
3-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-benzothiophene-2-carboxamide
CID 32943736
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,3-dimethylbutanamide
CID 32943486
N-(2,5-dimethylphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33217310
2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
CID 75385769
ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate
CID 94477906
N-[(2,5-dimethoxyphenyl)methyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 34866981

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide (CID 33258524) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(OCC(=O)N(C)C)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The InChIKey is HLWSPDYPQNJVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-13-11-16(23-20(27)21(2,3)4)29-18(13)19(26)22-14-7-9-15(10-8-14)28-12-17(25)24(5)6/h7-11H,12H2,1-6H3,(H,22,26)(H,23,27).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 33258524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).