N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C24H26N2O3S — CID 55783627

IUPACN-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCCOc1cccc(CNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1
InChIInChI=1S/C24H26N2O3S/c1-2-29-20-10-6-7-18(15-20)17-25-23(27)22-16-21(19-8-4-3-5-9-19)24(30-22)26-11-13-28-14-12-26/h3-10,15-16H,2,11-14,17H2,1H3,(H,25,27)
InChIKeyVYIPTYUNKAFVBF-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.58
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 55783627) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID55783627
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCCOc1cccc(CNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1
InChIInChI=1S/C24H26N2O3S/c1-2-29-20-10-6-7-18(15-20)17-25-23(27)22-16-21(19-8-4-3-5-9-19)24(30-22)26-11-13-28-14-12-26/h3-10,15-16H,2,11-14,17H2,1H3,(H,25,27)
InChIKeyVYIPTYUNKAFVBF-UHFFFAOYSA-N
XLogP4.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 39042400
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 46494653
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 41200888
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 56576443
methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 24516873
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 46592054
N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
(4-benzylpiperazin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24513631

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 55783627) is N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CCOc1cccc(CNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is VYIPTYUNKAFVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-2-29-20-10-6-7-18(15-20)17-25-23(27)22-16-21(19-8-4-3-5-9-19)24(30-22)26-11-13-28-14-12-26/h3-10,15-16H,2,11-14,17H2,1H3,(H,25,27).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55783627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).