methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate

C14H13NO3S — CID 90612849

IUPACmethyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H13NO3S/c1-18-14(17)15-9-11-7-8-12(19-11)13(16)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,17)
InChIKeyKNTABKOCTWWKBE-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.84
Rot. Bonds4

About methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate

methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate (PubChem CID 90612849) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
PubChem CID90612849
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Namemethyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H13NO3S/c1-18-14(17)15-9-11-7-8-12(19-11)13(16)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,17)
InChIKeyKNTABKOCTWWKBE-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 90612901
1-[(5-benzoylthiophen-2-yl)methyl]-3-propan-2-ylurea
CID 90613156
N-[(5-benzoylthiophen-2-yl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90612947
1-[(5-benzoylthiophen-2-yl)methyl]-3-cyclopropylurea
CID 90613154
N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
CID 90612882
N-[(5-acetylthiophen-2-yl)methyl]benzamide
CID 102052136
2-(5-benzoylthiophen-2-yl)acetic acid
CID 3751763
methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
CID 121134072
(E)-N-[(5-benzoylthiophen-2-yl)methyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 121132013
N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide
CID 90613141
N-[(5-benzoylthiophen-2-yl)methyl]-3-nitrobenzamide
CID 90612908
1-[(5-benzoylthiophen-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90613181

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate (CID 90612849) is methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate is COC(=O)NCc1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate?
The InChIKey is KNTABKOCTWWKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-14(17)15-9-11-7-8-12(19-11)13(16)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate?
methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate has a molecular weight of 275.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5-benzoylthiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 90612849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).