N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C23H24N2O3S — CID 42959799

IUPACN-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1cccc(COc2ccc(CNC(=O)C(C)NC(=O)c3cccs3)cc2)c1
InChIInChI=1S/C23H24N2O3S/c1-16-5-3-6-19(13-16)15-28-20-10-8-18(9-11-20)14-24-22(26)17(2)25-23(27)21-7-4-12-29-21/h3-13,17H,14-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGIWJROHAFMWFDJ-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.07
Rot. Bonds8

About N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 42959799) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID42959799
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1cccc(COc2ccc(CNC(=O)C(C)NC(=O)c3cccs3)cc2)c1
InChIInChI=1S/C23H24N2O3S/c1-16-5-3-6-19(13-16)15-28-20-10-8-18(9-11-20)14-24-22(26)17(2)25-23(27)21-7-4-12-29-21/h3-13,17H,14-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGIWJROHAFMWFDJ-UHFFFAOYSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[3-methyl-1-oxo-1-[(4-phenylmethoxyphenyl)methylamino]butan-2-yl]thiophene-2-carboxamide
CID 55583269
N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682489
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227
N-[1-[[3-(2-fluorophenoxy)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 154850530
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110348403
N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46477196
N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682542
N-[1-oxo-1-[[2-(propan-2-yloxymethyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46599009
N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46643139
(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
CID 119317869
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 42959799) is N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1cccc(COc2ccc(CNC(=O)C(C)NC(=O)c3cccs3)cc2)c1.
What is the InChIKey of N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is GIWJROHAFMWFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16-5-3-6-19(13-16)15-28-20-10-8-18(9-11-20)14-24-22(26)17(2)25-23(27)21-7-4-12-29-21/h3-13,17H,14-15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42959799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).