N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C18H23N3O2S — CID 86927392

IUPACN-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCC(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C18H23N3O2S/c1-13(2)11-12-21(3)17(22)15-9-10-16(24-15)20-18(23)19-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,19,20,23)
InChIKeyXUIMSEXJXQKOEN-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.51
Rot. Bonds6

About N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 86927392) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID86927392
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCC(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C18H23N3O2S/c1-13(2)11-12-21(3)17(22)15-9-10-16(24-15)20-18(23)19-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,19,20,23)
InChIKeyXUIMSEXJXQKOEN-UHFFFAOYSA-N
XLogP4.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 86927392) is N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is CC(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is XUIMSEXJXQKOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13(2)11-12-21(3)17(22)15-9-10-16(24-15)20-18(23)19-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,19,20,23).
What are the key properties of N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 86927392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).