[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate

C17H17NO4S2 — CID 24671197

IUPAC[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
SMILESCCc1ccc(C(=O)COC(=O)c2ccc(NC(=O)C3CC3)s2)s1
InChIInChI=1S/C17H17NO4S2/c1-2-11-5-6-13(23-11)12(19)9-22-17(21)14-7-8-15(24-14)18-16(20)10-3-4-10/h5-8,10H,2-4,9H2,1H3,(H,18,20)
InChIKeyZZHVUZFUJQUYEN-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.76
Rot. Bonds7

About [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate

[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate (PubChem CID 24671197) has the molecular formula C17H17NO4S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
PubChem CID24671197
Molecular FormulaC17H17NO4S2
Molecular Weight363.46 g/mol
Exact Mass363.06
IUPAC Name[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
SMILESCCc1ccc(C(=O)COC(=O)c2ccc(NC(=O)C3CC3)s2)s1
InChIInChI=1S/C17H17NO4S2/c1-2-11-5-6-13(23-11)12(19)9-22-17(21)14-7-8-15(24-14)18-16(20)10-3-4-10/h5-8,10H,2-4,9H2,1H3,(H,18,20)
InChIKeyZZHVUZFUJQUYEN-UHFFFAOYSA-N
XLogP3.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
(4-methoxycarbonylphenyl) 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 16582580
2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 86937892
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 31653610
[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 24671196
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
1-(5-ethylthiophen-2-yl)-2-pentoxyethanone
CID 43801255
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone
CID 60918638
2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
CID 43356222

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
The IUPAC name of [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate (CID 24671197) is [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
The canonical SMILES for [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate is CCc1ccc(C(=O)COC(=O)c2ccc(NC(=O)C3CC3)s2)s1.
What is the InChIKey of [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
The InChIKey is ZZHVUZFUJQUYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S2/c1-2-11-5-6-13(23-11)12(19)9-22-17(21)14-7-8-15(24-14)18-16(20)10-3-4-10/h5-8,10H,2-4,9H2,1H3,(H,18,20).
What are the key properties of [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate?
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 24671197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).