N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide

C20H20N2O3S — CID 170599572

IUPACN-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NC(C)C(N)=O
InChIInChI=1S/C20H20N2O3S/c1-12(19(21)23)22-20(24)18-13(2)26-17-9-8-15(10-16(17)18)25-11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyRYKRSBNMLFYZBV-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.39
Rot. Bonds6

About N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide

N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide (PubChem CID 170599572) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
PubChem CID170599572
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
SMILESCc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NC(C)C(N)=O
InChIInChI=1S/C20H20N2O3S/c1-12(19(21)23)22-20(24)18-13(2)26-17-9-8-15(10-16(17)18)25-11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyRYKRSBNMLFYZBV-UHFFFAOYSA-N
XLogP3.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzothiophene-3-carboxamide
CID 170599637
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599515
2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599542
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide
CID 170599528
N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzothiophene-3-carboxamide
CID 175961123
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzothiophene-3-carboxamide;ethane
CID 170599527
2-methyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599521
methyl 2-formyl-5-phenylmethoxy-1-benzothiophene-3-carboxylate
CID 170338688
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191
3-(5-phenylmethoxy-1-benzothiophen-3-yl)butanamide
CID 56994920
formamide;2-methyl-N-(4-methyloxan-4-yl)-5-(pyridin-2-ylmethoxy)-1-benzothiophene-3-carboxamide
CID 170599603

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide (CID 170599572) is N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide is Cc1sc2ccc(OCc3ccccc3)cc2c1C(=O)NC(C)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
The InChIKey is RYKRSBNMLFYZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-12(19(21)23)22-20(24)18-13(2)26-17-9-8-15(10-16(17)18)25-11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-2-methyl-5-phenylmethoxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 170599572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).