methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate

C15H17N3O3S — CID 1245323

IUPACmethyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate
SMILESCOC(=O)Nc1sc(C)c(C)c1C(=O)NCc1cccnc1
InChIInChI=1S/C15H17N3O3S/c1-9-10(2)22-14(18-15(20)21-3)12(9)13(19)17-8-11-5-4-6-16-7-11/h4-7H,8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUXDHQOXTTHTMHJ-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.87
Rot. Bonds4

About methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate

methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate (PubChem CID 1245323) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate
PubChem CID1245323
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Namemethyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate
SMILESCOC(=O)Nc1sc(C)c(C)c1C(=O)NCc1cccnc1
InChIInChI=1S/C15H17N3O3S/c1-9-10(2)22-14(18-15(20)21-3)12(9)13(19)17-8-11-5-4-6-16-7-11/h4-7H,8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUXDHQOXTTHTMHJ-UHFFFAOYSA-N
XLogP2.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide
CID 6468629
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
1-[3-(2-methoxybenzenecarboximidoyl)-4,5-dimethylthiophen-2-yl]-3-(pyridin-3-ylmethyl)thiourea
CID 146533146
3-[[4-ethyl-5-methyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 17377468
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 19114688
2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentamethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 2803457
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
2-[[2-(2-methylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 17012687
2-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 18883985
4-methyl-2-(octylcarbamoylamino)-5-(pyridin-3-ylmethylcarbamoyl)thiophene-3-carboxylic acid
CID 22053776

Frequently Asked Questions

What is the IUPAC name of methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate?
The IUPAC name of methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate (CID 1245323) is methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate.
What is the SMILES notation for methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate?
The canonical SMILES for methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate is COC(=O)Nc1sc(C)c(C)c1C(=O)NCc1cccnc1.
What is the InChIKey of methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate?
The InChIKey is UXDHQOXTTHTMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-10(2)22-14(18-15(20)21-3)12(9)13(19)17-8-11-5-4-6-16-7-11/h4-7H,8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate?
methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate has a molecular weight of 319.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate is sourced from PubChem (CID 1245323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).