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

C18H22N2O3S — CID 87005827

IUPACN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-5-15-12(2)9-16(24-15)18(22)19-13-7-6-8-14(10-13)23-11-17(21)20(3)4/h6-10H,5,11H2,1-4H3,(H,19,22)
InChIKeyKCLQBQJFJWGBFW-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.34
Rot. Bonds6

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

N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 87005827) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID87005827
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-5-15-12(2)9-16(24-15)18(22)19-13-7-6-8-14(10-13)23-11-17(21)20(3)4/h6-10H,5,11H2,1-4H3,(H,19,22)
InChIKeyKCLQBQJFJWGBFW-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119713905
N-[4-(dimethylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 27228669
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4820666
2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231593
N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55823894
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9224063
methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate
CID 52704348
5-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 43353089

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 87005827) is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1C.
What is the InChIKey of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is KCLQBQJFJWGBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-5-15-12(2)9-16(24-15)18(22)19-13-7-6-8-14(10-13)23-11-17(21)20(3)4/h6-10H,5,11H2,1-4H3,(H,19,22).
What are the key properties of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 87005827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).