N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C16H18N2O2S — CID 17399292

IUPACN-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C16H18N2O2S/c1-17-15(19)14-11-13(12-5-3-2-4-6-12)16(21-14)18-7-9-20-10-8-18/h2-6,11H,7-10H2,1H3,(H,17,19)
InChIKeyCLRPCQWNZRQOCS-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.61
Rot. Bonds3

About N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 17399292) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID17399292
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C16H18N2O2S/c1-17-15(19)14-11-13(12-5-3-2-4-6-12)16(21-14)18-7-9-20-10-8-18/h2-6,11H,7-10H2,1H3,(H,17,19)
InChIKeyCLRPCQWNZRQOCS-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2-[(phenylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1111969
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
N-{3-[(diethylamino)methyl]-4,5-dimethylthiophen-2-yl}benzamide
CID 833802
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
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855297
N-(4-chlorobenzyl)-7-methyl-2-(4-morpholinylmethyl)-4-oxo-4,7-dihydrothieno(2,3-b)pyridine-5-carboxamide
CID 503580
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
2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide
CID 53383641

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 17399292) is N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is CLRPCQWNZRQOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-17-15(19)14-11-13(12-5-3-2-4-6-12)16(21-14)18-7-9-20-10-8-18/h2-6,11H,7-10H2,1H3,(H,17,19).
What are the key properties of N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 17399292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).