2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

C9H12ClN3O2S — CID 167865036

IUPAC2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CNC(N)=O
InChIInChI=1S/C9H12ClN3O2S/c1-13(8(14)4-12-9(11)15)5-6-2-3-7(10)16-6/h2-3H,4-5H2,1H3,(H3,11,12,15)
InChIKeyRDPZFYLYVRYDNF-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.03
Rot. Bonds4

About 2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 167865036) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
PubChem CID167865036
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CNC(N)=O
InChIInChI=1S/C9H12ClN3O2S/c1-13(8(14)4-12-9(11)15)5-6-2-3-7(10)16-6/h2-3H,4-5H2,1H3,(H3,11,12,15)
InChIKeyRDPZFYLYVRYDNF-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 55103655
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] carbamimidothioate
CID 36522118
1-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81166939
N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
CID 130639217
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
2-[[N-[(5-chlorothiophen-2-yl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111501242
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (CID 167865036) is 2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CNC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is RDPZFYLYVRYDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-13(8(14)4-12-9(11)15)5-6-2-3-7(10)16-6/h2-3H,4-5H2,1H3,(H3,11,12,15).
What are the key properties of 2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 261.73 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 167865036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).