N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C26H29N3O2S — CID 41200888

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C26H29N3O2S/c30-25(27-22-11-12-28(19-22)18-20-7-3-1-4-8-20)24-17-23(21-9-5-2-6-10-21)26(32-24)29-13-15-31-16-14-29/h1-10,17,22H,11-16,18-19H2,(H,27,30)/t22-/m1/s1
InChIKeyBRQXJJUEGAISOI-JOCHJYFZSA-N
MW447.60 g/mol
LogP4.26
Rot. Bonds6

About N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 41200888) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID41200888
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C26H29N3O2S/c30-25(27-22-11-12-28(19-22)18-20-7-3-1-4-8-20)24-17-23(21-9-5-2-6-10-21)26(32-24)29-13-15-31-16-14-29/h1-10,17,22H,11-16,18-19H2,(H,27,30)/t22-/m1/s1
InChIKeyBRQXJJUEGAISOI-JOCHJYFZSA-N
XLogP4.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
(4-benzylpiperazin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24513631
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 24621446
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
N-(1-benzylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 117088638
N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 20940421
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide
CID 3811032
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 9126685
5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
CID 27861002

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 41200888) is N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is BRQXJJUEGAISOI-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H29N3O2S/c30-25(27-22-11-12-28(19-22)18-20-7-3-1-4-8-20)24-17-23(21-9-5-2-6-10-21)26(32-24)29-13-15-31-16-14-29/h1-10,17,22H,11-16,18-19H2,(H,27,30)/t22-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 41200888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).