methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate

C19H17NO4S — CID 35191855

IUPACmethyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccc3cc(OC)ccc3c2)s1
InChIInChI=1S/C19H17NO4S/c1-23-15-6-5-13-9-12(3-4-14(13)10-15)11-20-18(21)16-7-8-17(25-16)19(22)24-2/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyWYZPMPDBSATEGU-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.63
Rot. Bonds5

About methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate

methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate (PubChem CID 35191855) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate
PubChem CID35191855
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Namemethyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccc3cc(OC)ccc3c2)s1
InChIInChI=1S/C19H17NO4S/c1-23-15-6-5-13-9-12(3-4-14(13)10-15)11-20-18(21)16-7-8-17(25-16)19(22)24-2/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyWYZPMPDBSATEGU-UHFFFAOYSA-N
XLogP3.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate
CID 18113017
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
CID 51317152
methyl 5-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 47057132

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate (CID 35191855) is methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)NCc2ccc3cc(OC)ccc3c2)s1.
What is the InChIKey of methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate?
The InChIKey is WYZPMPDBSATEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-23-15-6-5-13-9-12(3-4-14(13)10-15)11-20-18(21)16-7-8-17(25-16)19(22)24-2/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate?
methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate has a molecular weight of 355.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 35191855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).