2-(1-benzothiophene-2-carbonylamino)pentanediamide

C14H15N3O3S — CID 143993335

IUPAC2-(1-benzothiophene-2-carbonylamino)pentanediamide
SMILESNC(=O)CCC(NC(=O)c1cc2ccccc2s1)C(N)=O
InChIInChI=1S/C14H15N3O3S/c15-12(18)6-5-9(13(16)19)17-14(20)11-7-8-3-1-2-4-10(8)21-11/h1-4,7,9H,5-6H2,(H2,15,18)(H2,16,19)(H,17,20)
InChIKeyCHDHKKHXUIYDCI-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.75
Rot. Bonds6

About 2-(1-benzothiophene-2-carbonylamino)pentanediamide

2-(1-benzothiophene-2-carbonylamino)pentanediamide (PubChem CID 143993335) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(1-benzothiophene-2-carbonylamino)pentanediamide.

Molecular Properties

Compound Name2-(1-benzothiophene-2-carbonylamino)pentanediamide
PubChem CID143993335
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(1-benzothiophene-2-carbonylamino)pentanediamide
SMILESNC(=O)CCC(NC(=O)c1cc2ccccc2s1)C(N)=O
InChIInChI=1S/C14H15N3O3S/c15-12(18)6-5-9(13(16)19)17-14(20)11-7-8-3-1-2-4-10(8)21-11/h1-4,7,9H,5-6H2,(H2,15,18)(H2,16,19)(H,17,20)
InChIKeyCHDHKKHXUIYDCI-UHFFFAOYSA-N
XLogP0.75
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophene-2-carbonylamino)pentanediamide?
The IUPAC name of 2-(1-benzothiophene-2-carbonylamino)pentanediamide (CID 143993335) is 2-(1-benzothiophene-2-carbonylamino)pentanediamide.
What is the SMILES notation for 2-(1-benzothiophene-2-carbonylamino)pentanediamide?
The canonical SMILES for 2-(1-benzothiophene-2-carbonylamino)pentanediamide is NC(=O)CCC(NC(=O)c1cc2ccccc2s1)C(N)=O.
What is the InChIKey of 2-(1-benzothiophene-2-carbonylamino)pentanediamide?
The InChIKey is CHDHKKHXUIYDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-12(18)6-5-9(13(16)19)17-14(20)11-7-8-3-1-2-4-10(8)21-11/h1-4,7,9H,5-6H2,(H2,15,18)(H2,16,19)(H,17,20).
What are the key properties of 2-(1-benzothiophene-2-carbonylamino)pentanediamide?
2-(1-benzothiophene-2-carbonylamino)pentanediamide has a molecular weight of 305.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophene-2-carbonylamino)pentanediamide is sourced from PubChem (CID 143993335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).