methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate

C17H16N2O4S — CID 38753329

IUPACmethyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)s1
InChIInChI=1S/C17H16N2O4S/c1-23-17(22)14-9-8-13(24-14)16(21)19-12-6-4-11(5-7-12)18-15(20)10-2-3-10/h4-10H,2-3H2,1H3,(H,18,20)(H,19,21)
InChIKeySLCDJYOOPDVTTN-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.14
Rot. Bonds5

About methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate

methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate (PubChem CID 38753329) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate
PubChem CID38753329
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Namemethyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)s1
InChIInChI=1S/C17H16N2O4S/c1-23-17(22)14-9-8-13(24-14)16(21)19-12-6-4-11(5-7-12)18-15(20)10-2-3-10/h4-10H,2-3H2,1H3,(H,18,20)(H,19,21)
InChIKeySLCDJYOOPDVTTN-UHFFFAOYSA-N
XLogP3.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(4-iodophenyl)carbamoyl]thiophene-2-carboxylate
CID 38768210
methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate
CID 38764463
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 18282772
methyl 5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 134050303
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891
N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
CID 112685719
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamoyl]benzoate
CID 17178384
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(methoxymethyl)benzamide
CID 41266000
N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 16595029

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate (CID 38753329) is methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)s1.
What is the InChIKey of methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate?
The InChIKey is SLCDJYOOPDVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-23-17(22)14-9-8-13(24-14)16(21)19-12-6-4-11(5-7-12)18-15(20)10-2-3-10/h4-10H,2-3H2,1H3,(H,18,20)(H,19,21).
What are the key properties of methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate?
methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 38753329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).