methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate

C15H16N2O4S2 — CID 41340119

IUPACmethyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C
InChIInChI=1S/C15H16N2O4S2/c1-8-9(2)23-14(12(8)13(19)17-15(20)21-3)16-11(18)7-10-5-4-6-22-10/h4-6H,7H2,1-3H3,(H,16,18)(H,17,19,20)
InChIKeyZJBPHZALCOLNLN-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.10
Rot. Bonds4

About methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate

methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 41340119) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID41340119
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Namemethyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C
InChIInChI=1S/C15H16N2O4S2/c1-8-9(2)23-14(12(8)13(19)17-15(20)21-3)16-11(18)7-10-5-4-6-22-10/h4-6H,7H2,1-3H3,(H,16,18)(H,17,19,20)
InChIKeyZJBPHZALCOLNLN-UHFFFAOYSA-N
XLogP3.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate with MolForge

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Related Compounds

methyl N-[2-[(2-thiophen-2-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonyl]carbamate
CID 41340129
methyl N-[4,5-dimethyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carbonyl]carbamate
CID 7520995
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
CID 1247526
methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carbonyl]carbamate
CID 41320822
methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 1131506
ethyl 5-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 17173072
methyl 2-[(2-thiophen-2-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 645969
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
ethyl 4-cyano-3-methyl-5-[(2-thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
CID 41340120
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 4644275
methyl 4,5-dimethyl-2-[4-(thiophene-2-carbonylamino)butanoylamino]thiophene-3-carboxylate
CID 51182401

Frequently Asked Questions

What is the IUPAC name of methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate (CID 41340119) is methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C.
What is the InChIKey of methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is ZJBPHZALCOLNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-8-9(2)23-14(12(8)13(19)17-15(20)21-3)16-11(18)7-10-5-4-6-22-10/h4-6H,7H2,1-3H3,(H,16,18)(H,17,19,20).
What are the key properties of methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate?
methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 352.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 41340119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).