N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C25H26N4O4S — CID 46494653

IUPACN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1
InChIInChI=1S/C25H26N4O4S/c26-22(30)16-28-23(31)19-8-6-17(7-9-19)15-27-24(32)21-14-20(18-4-2-1-3-5-18)25(34-21)29-10-12-33-13-11-29/h1-9,14H,10-13,15-16H2,(H2,26,30)(H,27,32)(H,28,31)
InChIKeyLEZLTLPQRFYMGN-UHFFFAOYSA-N
MW478.57 g/mol
LogP2.40
Rot. Bonds8

About N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 46494653) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID46494653
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1
InChIInChI=1S/C25H26N4O4S/c26-22(30)16-28-23(31)19-8-6-17(7-9-19)15-27-24(32)21-14-20(18-4-2-1-3-5-18)25(34-21)29-10-12-33-13-11-29/h1-9,14H,10-13,15-16H2,(H2,26,30)(H,27,32)(H,28,31)
InChIKeyLEZLTLPQRFYMGN-UHFFFAOYSA-N
XLogP2.40
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 46494653) is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1.
What is the InChIKey of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is LEZLTLPQRFYMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c26-22(30)16-28-23(31)19-8-6-17(7-9-19)15-27-24(32)21-14-20(18-4-2-1-3-5-18)25(34-21)29-10-12-33-13-11-29/h1-9,14H,10-13,15-16H2,(H2,26,30)(H,27,32)(H,28,31).
What are the key properties of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 46494653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).