N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

C23H27N3O4S — CID 55745887

IUPACN-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)c2c(-n3cccc3)sc(C)c2C)cc1OC
InChIInChI=1S/C23H27N3O4S/c1-5-24-20(27)14-30-18-9-8-17(12-19(18)29-4)13-25-22(28)21-15(2)16(3)31-23(21)26-10-6-7-11-26/h6-12H,5,13-14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyUOKRQWSGROQKPJ-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.61
Rot. Bonds9

About N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (PubChem CID 55745887) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
PubChem CID55745887
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)c2c(-n3cccc3)sc(C)c2C)cc1OC
InChIInChI=1S/C23H27N3O4S/c1-5-24-20(27)14-30-18-9-8-17(12-19(18)29-4)13-25-22(28)21-15(2)16(3)31-23(21)26-10-6-7-11-26/h6-12H,5,13-14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyUOKRQWSGROQKPJ-UHFFFAOYSA-N
XLogP3.61
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 51112604
4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 55745941
5-chloro-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 55781267
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 94870303
ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 55745890
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 55781233
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119712627

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The IUPAC name of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (CID 55745887) is N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The canonical SMILES for N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is CCNC(=O)COc1ccc(CNC(=O)c2c(-n3cccc3)sc(C)c2C)cc1OC.
What is the InChIKey of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The InChIKey is UOKRQWSGROQKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-5-24-20(27)14-30-18-9-8-17(12-19(18)29-4)13-25-22(28)21-15(2)16(3)31-23(21)26-10-6-7-11-26/h6-12H,5,13-14H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 55745887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).