5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide

C14H20N2O3S — CID 110886322

IUPAC5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCCC(CO)NC(=O)c1sc(NC(=O)C2CC2)cc1C
InChIInChI=1S/C14H20N2O3S/c1-3-10(7-17)15-14(19)12-8(2)6-11(20-12)16-13(18)9-4-5-9/h6,9-10,17H,3-5,7H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyYQUSXLVLUCKTIM-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.91
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 110886322) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID110886322
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide
SMILESCCC(CO)NC(=O)c1sc(NC(=O)C2CC2)cc1C
InChIInChI=1S/C14H20N2O3S/c1-3-10(7-17)15-14(19)12-8(2)6-11(20-12)16-13(18)9-4-5-9/h6,9-10,17H,3-5,7H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyYQUSXLVLUCKTIM-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
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CID 78833699
5-(cyclopropanecarbonylamino)-N-(2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 24605307
5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 86822599
prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
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CID 86980110
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CID 78835864
5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 78835001
5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide (CID 110886322) is 5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide is CCC(CO)NC(=O)c1sc(NC(=O)C2CC2)cc1C.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is YQUSXLVLUCKTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-10(7-17)15-14(19)12-8(2)6-11(20-12)16-13(18)9-4-5-9/h6,9-10,17H,3-5,7H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 110886322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).