N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide

C25H27N3O4S — CID 31429464

IUPACN-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O4S/c1-31-21-10-6-18(7-11-21)22(28-12-14-32-15-13-28)17-26-24(29)19-4-8-20(9-5-19)27-25(30)23-3-2-16-33-23/h2-11,16,22H,12-15,17H2,1H3,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeyLQGVXWIRKOMLRM-QFIPXVFZSA-N
MW465.58 g/mol
LogP3.81
Rot. Bonds8

About N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 31429464) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID31429464
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O4S/c1-31-21-10-6-18(7-11-21)22(28-12-14-32-15-13-28)17-26-24(29)19-4-8-20(9-5-19)27-25(30)23-3-2-16-33-23/h2-11,16,22H,12-15,17H2,1H3,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeyLQGVXWIRKOMLRM-QFIPXVFZSA-N
XLogP3.81
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25473941
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
N-[4-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 43046396
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31333795

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 31429464) is N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide is COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is LQGVXWIRKOMLRM-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-31-21-10-6-18(7-11-21)22(28-12-14-32-15-13-28)17-26-24(29)19-4-8-20(9-5-19)27-25(30)23-3-2-16-33-23/h2-11,16,22H,12-15,17H2,1H3,(H,26,29)(H,27,30)/t22-/m0/s1.
What are the key properties of N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31429464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).