N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C24H26N2O2S2 — CID 20855297

IUPACN-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCSc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1
InChIInChI=1S/C24H26N2O2S2/c1-29-20-9-7-18(8-10-20)11-12-25-23(27)22-17-21(19-5-3-2-4-6-19)24(30-22)26-13-15-28-16-14-26/h2-10,17H,11-16H2,1H3,(H,25,27)
InChIKeyPPDNDUPXDZINNN-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.95
Rot. Bonds7

About N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 20855297) has the molecular formula C24H26N2O2S2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID20855297
Molecular FormulaC24H26N2O2S2
Molecular Weight438.62 g/mol
Exact Mass438.14
IUPAC NameN-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCSc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1
InChIInChI=1S/C24H26N2O2S2/c1-29-20-9-7-18(8-10-20)11-12-25-23(27)22-17-21(19-5-3-2-4-6-19)24(30-22)26-13-15-28-16-14-26/h2-10,17H,11-16H2,1H3,(H,25,27)
InChIKeyPPDNDUPXDZINNN-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 24985915
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
N-(3-Benzoyl-4,5-dimethyl-thiophen-2-yl)-2-morpholin-4-yl-acetamide
CID 1358927
N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 7446712
CID 122196547
CID 122196547
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
4-(4''-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 44389246
1-(3-((Morpholin-2-ylmethyl)carbamoyl)-5-phenylthiophen-2-yl)urea
CID 44560938
4-Methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-amine
CID 2120324
N-[3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide
CID 1204119
N-[4-(4-morpholinylcarbonyl)phenyl]-2-thiophenecarboxamide
CID 653867

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 20855297) is N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CSc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1.
What is the InChIKey of N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is PPDNDUPXDZINNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S2/c1-29-20-9-7-18(8-10-20)11-12-25-23(27)22-17-21(19-5-3-2-4-6-19)24(30-22)26-13-15-28-16-14-26/h2-10,17H,11-16H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 438.62 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfanylphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 20855297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).