5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide

C14H18N2O3S — CID 115878168

IUPAC5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
SMILESO=C(NC1(CO)CCC1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H18N2O3S/c17-8-14(6-1-7-14)16-13(19)10-4-5-11(20-10)15-12(18)9-2-3-9/h4-5,9,17H,1-3,6-8H2,(H,15,18)(H,16,19)
InChIKeyHVEORXABRJRFQQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.74
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide (PubChem CID 115878168) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
PubChem CID115878168
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
SMILESO=C(NC1(CO)CCC1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H18N2O3S/c17-8-14(6-1-7-14)16-13(19)10-4-5-11(20-10)15-12(18)9-2-3-9/h4-5,9,17H,1-3,6-8H2,(H,15,18)(H,16,19)
InChIKeyHVEORXABRJRFQQ-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[1-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 62525158
5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide
CID 115668905
5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62526831
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]-2-hydroxy-2-methylpropanoic acid
CID 66173156
N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
CID 64671529
4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
CID 107832422
N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide
CID 55082075
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide (CID 115878168) is 5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide is O=C(NC1(CO)CCC1)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
The InChIKey is HVEORXABRJRFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-8-14(6-1-7-14)16-13(19)10-4-5-11(20-10)15-12(18)9-2-3-9/h4-5,9,17H,1-3,6-8H2,(H,15,18)(H,16,19).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 115878168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).