5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide

C14H18N2O3S — CID 115668905

IUPAC5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(O)CCC1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H18N2O3S/c17-12(9-2-3-9)16-11-5-4-10(20-11)13(18)15-8-14(19)6-1-7-14/h4-5,9,19H,1-3,6-8H2,(H,15,18)(H,16,17)
InChIKeyLDTVQAQHOFRJRY-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.74
Rot. Bonds5

About 5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide (PubChem CID 115668905) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide
PubChem CID115668905
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(O)CCC1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C14H18N2O3S/c17-12(9-2-3-9)16-11-5-4-10(20-11)13(18)15-8-14(19)6-1-7-14/h4-5,9,19H,1-3,6-8H2,(H,15,18)(H,16,17)
InChIKeyLDTVQAQHOFRJRY-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-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878168
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769
4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
CID 107832422
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173156
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide
CID 65118919
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
CID 64671529
5-(cyclopropanecarbonylamino)-N-[2-(3,5-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 86848335
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496
5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119545
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide (CID 115668905) is 5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide is O=C(NCC1(O)CCC1)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide?
The InChIKey is LDTVQAQHOFRJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-12(9-2-3-9)16-11-5-4-10(20-11)13(18)15-8-14(19)6-1-7-14/h4-5,9,19H,1-3,6-8H2,(H,15,18)(H,16,17).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]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-hydroxycyclobutyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 115668905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).