N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide

C13H16N2O3S3 — CID 18117309

IUPACN-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N2O3S3/c1-14(8-11-5-7-19-10-11)12(16)9-15(2)21(17,18)13-4-3-6-20-13/h3-7,10H,8-9H2,1-2H3
InChIKeyGQNYTVVISLSRQB-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.09
Rot. Bonds6

About N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 18117309) has the molecular formula C13H16N2O3S3 and a molecular weight of 344.48 g/mol. Its IUPAC name is N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID18117309
Molecular FormulaC13H16N2O3S3
Molecular Weight344.48 g/mol
Exact Mass344.03
IUPAC NameN-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N2O3S3/c1-14(8-11-5-7-19-10-11)12(16)9-15(2)21(17,18)13-4-3-6-20-13/h3-7,10H,8-9H2,1-2H3
InChIKeyGQNYTVVISLSRQB-UHFFFAOYSA-N
XLogP2.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18116994
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 63939841
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 31798887
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
N,N-bis(2-methoxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55327809
benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 23851783
N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 43573487
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 27808046
N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide
CID 76928975
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide (CID 18117309) is N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is GQNYTVVISLSRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S3/c1-14(8-11-5-7-19-10-11)12(16)9-15(2)21(17,18)13-4-3-6-20-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 18117309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).