5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide

C10H14ClN3O2S — CID 75447043

IUPAC5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClN3O2S/c1-14(2)10(16)13-6-5-12-9(15)7-3-4-8(11)17-7/h3-4H,5-6H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyOOZCBMPVUVVVPT-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.40
Rot. Bonds4

About 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide

5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide (PubChem CID 75447043) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide
PubChem CID75447043
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClN3O2S/c1-14(2)10(16)13-6-5-12-9(15)7-3-4-8(11)17-7/h3-4H,5-6H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyOOZCBMPVUVVVPT-UHFFFAOYSA-N
XLogP1.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide (CID 75447043) is 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide is CN(C)C(=O)NCCNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is OOZCBMPVUVVVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-14(2)10(16)13-6-5-12-9(15)7-3-4-8(11)17-7/h3-4H,5-6H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 275.76 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 75447043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).