N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C16H20N2O3S2 — CID 4802477

IUPACN-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C16H20N2O3S2/c1-13-6-8-15(9-7-13)23(20,21)18(3)12-16(19)17(2)11-14-5-4-10-22-14/h4-10H,11-12H2,1-3H3
InChIKeySLHQTSYTRJHARU-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.34
Rot. Bonds6

About N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4802477) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4802477
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C16H20N2O3S2/c1-13-6-8-15(9-7-13)23(20,21)18(3)12-16(19)17(2)11-14-5-4-10-22-14/h4-10H,11-12H2,1-3H3
InChIKeySLHQTSYTRJHARU-UHFFFAOYSA-N
XLogP2.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 4802477) is N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2cccs2)cc1.
What is the InChIKey of N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SLHQTSYTRJHARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-13-6-8-15(9-7-13)23(20,21)18(3)12-16(19)17(2)11-14-5-4-10-22-14/h4-10H,11-12H2,1-3H3.
What are the key properties of N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4802477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).