N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide

C19H19NO4S — CID 95776307

IUPACN-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2oc3ccccc3c2C[S@](C)=O)c1
InChIInChI=1S/C19H19NO4S/c1-23-14-7-5-6-13(10-14)11-20-19(21)18-16(12-25(2)22)15-8-3-4-9-17(15)24-18/h3-10H,11-12H2,1-2H3,(H,20,21)/t25-/m0/s1
InChIKeyAUTCDAPASFURNU-VWLOTQADSA-N
MW357.43 g/mol
LogP3.25
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide

N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 95776307) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID95776307
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2oc3ccccc3c2C[S@](C)=O)c1
InChIInChI=1S/C19H19NO4S/c1-23-14-7-5-6-13(10-14)11-20-19(21)18-16(12-25(2)22)15-8-3-4-9-17(15)24-18/h3-10H,11-12H2,1-2H3,(H,20,21)/t25-/m0/s1
InChIKeyAUTCDAPASFURNU-VWLOTQADSA-N
XLogP3.25
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18098570
N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 9079515
3-[[(R)-methylsulfinyl]methyl]-N-(4-pyrimidin-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 95776341
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide
CID 18963780
N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899333
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55693275
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186827

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide (CID 95776307) is N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide is COc1cccc(CNC(=O)c2oc3ccccc3c2C[S@](C)=O)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is AUTCDAPASFURNU-VWLOTQADSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-23-14-7-5-6-13(10-14)11-20-19(21)18-16(12-25(2)22)15-8-3-4-9-17(15)24-18/h3-10H,11-12H2,1-2H3,(H,20,21)/t25-/m0/s1.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95776307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).