N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C19H22N4O3S2 — CID 31798887

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H22N4O3S2/c1-21(18(24)15-22(2)28(25,26)19-9-6-10-27-19)12-17-11-20-23(14-17)13-16-7-4-3-5-8-16/h3-11,14H,12-13,15H2,1-2H3
InChIKeyVQTBDFFVAXWDFU-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.27
Rot. Bonds8

About N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 31798887) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID31798887
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H22N4O3S2/c1-21(18(24)15-22(2)28(25,26)19-9-6-10-27-19)12-17-11-20-23(14-17)13-16-7-4-3-5-8-16/h3-11,14H,12-13,15H2,1-2H3
InChIKeyVQTBDFFVAXWDFU-UHFFFAOYSA-N
XLogP2.27
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(thiophen-3-ylmethyl)acetamide
CID 18117309
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 63939841
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18116994
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32623057
benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 23851783
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 9406480
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 31798887) is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is VQTBDFFVAXWDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-21(18(24)15-22(2)28(25,26)19-9-6-10-27-19)12-17-11-20-23(14-17)13-16-7-4-3-5-8-16/h3-11,14H,12-13,15H2,1-2H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 418.54 g/mol, XLogP of 2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 31798887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).