N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide

C19H19N3O2S — CID 100630059

IUPACN-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)N(C)c1cccc(NC(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C19H19N3O2S/c1-3-20-19(24)22(2)15-9-6-8-14(12-15)21-18(23)17-11-13-7-4-5-10-16(13)25-17/h4-12H,3H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyJKGJHKSGVSMCLR-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.32
Rot. Bonds4

About N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide

N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 100630059) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide
PubChem CID100630059
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)N(C)c1cccc(NC(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C19H19N3O2S/c1-3-20-19(24)22(2)15-9-6-8-14(12-15)21-18(23)17-11-13-7-4-5-10-16(13)25-17/h4-12H,3H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyJKGJHKSGVSMCLR-UHFFFAOYSA-N
XLogP4.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide (CID 100630059) is N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide is CCNC(=O)N(C)c1cccc(NC(=O)c2cc3ccccc3s2)c1.
What is the InChIKey of N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is JKGJHKSGVSMCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-20-19(24)22(2)15-9-6-8-14(12-15)21-18(23)17-11-13-7-4-5-10-16(13)25-17/h4-12H,3H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide?
N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 100630059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).