N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C23H27N3O2S2 — CID 46592054

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccsc1
InChIInChI=1S/C23H27N3O2S2/c1-25(2)20(18-8-13-29-16-18)15-24-22(27)21-14-19(17-6-4-3-5-7-17)23(30-21)26-9-11-28-12-10-26/h3-8,13-14,16,20H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyNZFNLDXXBJUPRR-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.35
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 46592054) has the molecular formula C23H27N3O2S2 and a molecular weight of 441.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID46592054
Molecular FormulaC23H27N3O2S2
Molecular Weight441.62 g/mol
Exact Mass441.15
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccsc1
InChIInChI=1S/C23H27N3O2S2/c1-25(2)20(18-8-13-29-16-18)15-24-22(27)21-14-19(17-6-4-3-5-7-17)23(30-21)26-9-11-28-12-10-26/h3-8,13-14,16,20H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyNZFNLDXXBJUPRR-UHFFFAOYSA-N
XLogP4.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 24516873
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
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-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55783627
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-carboxamide
CID 32630977
(1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine
CID 95177735
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 46494653
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477
N-methyl-5-morpholin-4-yl-4-phenyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 134008677

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 46592054) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CN(C)C(CNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is NZFNLDXXBJUPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S2/c1-25(2)20(18-8-13-29-16-18)15-24-22(27)21-14-19(17-6-4-3-5-7-17)23(30-21)26-9-11-28-12-10-26/h3-8,13-14,16,20H,9-12,15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 441.62 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 46592054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).