methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate

C13H16N2O4S — CID 60712496

IUPACmethyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H16N2O4S/c1-7(13(18)19-2)14-12(17)9-5-6-10(20-9)15-11(16)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLWWXHFRGPFMNHH-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.39
Rot. Bonds5

About methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate

methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate (PubChem CID 60712496) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
PubChem CID60712496
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Namemethyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H16N2O4S/c1-7(13(18)19-2)14-12(17)9-5-6-10(20-9)15-11(16)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyLWWXHFRGPFMNHH-UHFFFAOYSA-N
XLogP1.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 25487382
5-(cyclopropanecarbonylamino)-N-[1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 42889154
5-(cyclopropanecarbonylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103722934
5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide
CID 86848327
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 86891991
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 86998485
N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 16595029
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
CID 64671529

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate (CID 60712496) is methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate?
The InChIKey is LWWXHFRGPFMNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-7(13(18)19-2)14-12(17)9-5-6-10(20-9)15-11(16)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate?
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate has a molecular weight of 296.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate is sourced from PubChem (CID 60712496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).