N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide

C18H23N3O2S — CID 71992685

IUPACN-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)N(C)CCc2cccs2)c1
InChIInChI=1S/C18H23N3O2S/c1-14(22)21(3)13-15-6-4-7-16(12-15)19-18(23)20(2)10-9-17-8-5-11-24-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,19,23)
InChIKeyHVNIHIYOZFBTHW-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.43
Rot. Bonds6

About N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide

N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide (PubChem CID 71992685) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide
PubChem CID71992685
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)N(C)CCc2cccs2)c1
InChIInChI=1S/C18H23N3O2S/c1-14(22)21(3)13-15-6-4-7-16(12-15)19-18(23)20(2)10-9-17-8-5-11-24-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,19,23)
InChIKeyHVNIHIYOZFBTHW-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide (CID 71992685) is N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide is CC(=O)N(C)Cc1cccc(NC(=O)N(C)CCc2cccs2)c1.
What is the InChIKey of N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide?
The InChIKey is HVNIHIYOZFBTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14(22)21(3)13-15-6-4-7-16(12-15)19-18(23)20(2)10-9-17-8-5-11-24-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,19,23).
What are the key properties of N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide?
N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 71992685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).