N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C23H23N3O3S — CID 78804636

IUPACN-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H23N3O3S/c27-22(18-3-1-4-20(15-18)25-23(28)21-5-2-14-30-21)24-19-8-6-17(7-9-19)16-26-10-12-29-13-11-26/h1-9,14-15H,10-13,16H2,(H,24,27)(H,25,28)
InChIKeyTXMAGAQWSZCQOH-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.08
Rot. Bonds6

About N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 78804636) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID78804636
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H23N3O3S/c27-22(18-3-1-4-20(15-18)25-23(28)21-5-2-14-30-21)24-19-8-6-17(7-9-19)16-26-10-12-29-13-11-26/h1-9,14-15H,10-13,16H2,(H,24,27)(H,25,28)
InChIKeyTXMAGAQWSZCQOH-UHFFFAOYSA-N
XLogP4.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
N-[4-[4-(morpholin-4-ylmethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 86978815
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9453653
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
N-[3-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56556230
3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 28631315
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55843395

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 78804636) is N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is TXMAGAQWSZCQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c27-22(18-3-1-4-20(15-18)25-23(28)21-5-2-14-30-21)24-19-8-6-17(7-9-19)16-26-10-12-29-13-11-26/h1-9,14-15H,10-13,16H2,(H,24,27)(H,25,28).
What are the key properties of N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(morpholin-4-ylmethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 78804636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).