methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate

C13H17N3O4S — CID 71936867

IUPACmethyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CC(=O)Nc1sccc1C(=O)NC1CC1
InChIInChI=1S/C13H17N3O4S/c1-16(13(19)20-2)7-10(17)15-12-9(5-6-21-12)11(18)14-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,14,18)(H,15,17)
InChIKeySHUSJJKZAKFGJT-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.28
Rot. Bonds5

About methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate

methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate (PubChem CID 71936867) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
PubChem CID71936867
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Namemethyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CC(=O)Nc1sccc1C(=O)NC1CC1
InChIInChI=1S/C13H17N3O4S/c1-16(13(19)20-2)7-10(17)15-12-9(5-6-21-12)11(18)14-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,14,18)(H,15,17)
InChIKeySHUSJJKZAKFGJT-UHFFFAOYSA-N
XLogP1.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate with MolForge

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Related Compounds

4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
CID 6468323
N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 60590871
2-[[4-[butyl(methyl)amino]benzoyl]amino]-N-cyclopropylthiophene-3-carboxamide
CID 52822973
N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide
CID 71935395
N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide
CID 60590919
methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
CID 51121340
N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60587824
N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 56822157
N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1247216
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
(1R,2R,3S,4R)-3-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124714469
2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate (CID 71936867) is methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate is COC(=O)N(C)CC(=O)Nc1sccc1C(=O)NC1CC1.
What is the InChIKey of methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate?
The InChIKey is SHUSJJKZAKFGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-16(13(19)20-2)7-10(17)15-12-9(5-6-21-12)11(18)14-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate?
methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate has a molecular weight of 311.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 71936867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).