2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide

C9H12ClN3O2S — CID 141160298

IUPAC2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N(C(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c1-9(2,7(11)14)13(8(12)15)6-4-3-5(10)16-6/h3-4H,1-2H3,(H2,11,14)(H2,12,15)
InChIKeyLDXUSNVDIMGXSM-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.55
Rot. Bonds3

About 2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide

2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide (PubChem CID 141160298) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide
PubChem CID141160298
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N(C(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c1-9(2,7(11)14)13(8(12)15)6-4-3-5(10)16-6/h3-4H,1-2H3,(H2,11,14)(H2,12,15)
InChIKeyLDXUSNVDIMGXSM-UHFFFAOYSA-N
XLogP1.55
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide?
The IUPAC name of 2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide (CID 141160298) is 2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide is CC(C)(C(N)=O)N(C(N)=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide?
The InChIKey is LDXUSNVDIMGXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-9(2,7(11)14)13(8(12)15)6-4-3-5(10)16-6/h3-4H,1-2H3,(H2,11,14)(H2,12,15).
What are the key properties of 2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide?
2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide has a molecular weight of 261.73 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl-(5-chlorothiophen-2-yl)amino]-2-methylpropanamide is sourced from PubChem (CID 141160298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).