5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide

C26H30N2O5S — CID 20855296

IUPAC5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(OC)c1OC
InChIInChI=1S/C26H30N2O5S/c1-30-21-10-9-19(23(31-2)24(21)32-3)11-12-27-25(29)22-17-20(18-7-5-4-6-8-18)26(34-22)28-13-15-33-16-14-28/h4-10,17H,11-16H2,1-3H3,(H,27,29)
InChIKeyKPUCXQISWKEPTN-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.25
Rot. Bonds9

About 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide

5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 20855296) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID20855296
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(OC)c1OC
InChIInChI=1S/C26H30N2O5S/c1-30-21-10-9-19(23(31-2)24(21)32-3)11-12-27-25(29)22-17-20(18-7-5-4-6-8-18)26(34-22)28-13-15-33-16-14-28/h4-10,17H,11-16H2,1-3H3,(H,27,29)
InChIKeyKPUCXQISWKEPTN-UHFFFAOYSA-N
XLogP4.25
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855299
N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 20855303
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20854922
Ethyl 5-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 2276725
N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide
CID 3534612
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide
CID 4338730
N-{4,5-dimethyl-3-[morpholin-4-yl(3,4,5-trimethoxyphenyl)methyl]thiophen-2-yl}furan-2-carboxamide
CID 4586415
Ethyl 3-[(2,4-dimethoxyphenyl)carbamoyl]-2-{[(2,3,4-trimethoxyphenyl)methyl]amino}-4H,5H,6H,7H-thieno[2,3-C]pyridine-6-carboxylate
CID 16034370
N-[2-(4-Ethoxyphenyl)ethyl]-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855298
N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-3,4,5-trimethoxy-benzamide
CID 1131505
N-(2-furanylmethyl)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1329040
N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3284191

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide (CID 20855296) is 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(OC)c1OC.
What is the InChIKey of 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is KPUCXQISWKEPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-30-21-10-9-19(23(31-2)24(21)32-3)11-12-27-25(29)22-17-20(18-7-5-4-6-8-18)26(34-22)28-13-15-33-16-14-28/h4-10,17H,11-16H2,1-3H3,(H,27,29).
What are the key properties of 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide?
5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 482.60 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 20855296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).