N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide

C14H16N2O3S — CID 61076001

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(C#CCCO)s1)NC1CC1
InChIInChI=1S/C14H16N2O3S/c17-8-2-1-3-11-6-7-12(20-11)14(19)15-9-13(18)16-10-4-5-10/h6-7,10,17H,2,4-5,8-9H2,(H,15,19)(H,16,18)
InChIKeyCCGGRGMQKZHWPJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.49
Rot. Bonds5

About N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide (PubChem CID 61076001) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
PubChem CID61076001
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(C#CCCO)s1)NC1CC1
InChIInChI=1S/C14H16N2O3S/c17-8-2-1-3-11-6-7-12(20-11)14(19)15-9-13(18)16-10-4-5-10/h6-7,10,17H,2,4-5,8-9H2,(H,15,19)(H,16,18)
InChIKeyCCGGRGMQKZHWPJ-UHFFFAOYSA-N
XLogP0.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide (CID 61076001) is N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide is O=C(CNC(=O)c1ccc(C#CCCO)s1)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The InChIKey is CCGGRGMQKZHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-8-2-1-3-11-6-7-12(20-11)14(19)15-9-13(18)16-10-4-5-10/h6-7,10,17H,2,4-5,8-9H2,(H,15,19)(H,16,18).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 61076001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).