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

C24H26N2O4S — CID 55577868

IUPACN-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc(OC)c1
InChIInChI=1S/C24H26N2O4S/c1-28-19-12-17(13-20(14-19)29-2)16-25-23(27)22-15-21(18-6-4-3-5-7-18)24(31-22)26-8-10-30-11-9-26/h3-7,12-15H,8-11,16H2,1-2H3,(H,25,27)
InChIKeyQTWVTPARKRAVSF-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.20
Rot. Bonds7

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

N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 55577868) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID55577868
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc(OC)c1
InChIInChI=1S/C24H26N2O4S/c1-28-19-12-17(13-20(14-19)29-2)16-25-23(27)22-15-21(18-6-4-3-5-7-18)24(31-22)26-8-10-30-11-9-26/h3-7,12-15H,8-11,16H2,1-2H3,(H,25,27)
InChIKeyQTWVTPARKRAVSF-UHFFFAOYSA-N
XLogP4.20
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55783627
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
5-(azepan-1-yl)-N-[(2-methoxyphenyl)methyl]-4-phenylthiophene-2-carboxamide
CID 20940482
methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 24516873
5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
CID 27861002
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26781521
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 35486595
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 46592054
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 39042400

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 55577868) is N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is COc1cc(CNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is QTWVTPARKRAVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-28-19-12-17(13-20(14-19)29-2)16-25-23(27)22-15-21(18-6-4-3-5-7-18)24(31-22)26-8-10-30-11-9-26/h3-7,12-15H,8-11,16H2,1-2H3,(H,25,27).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55577868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).