N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide

C19H19N3O2S — CID 55929497

IUPACN-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C19H19N3O2S/c1-12(2)20-19(24)22-16-6-4-3-5-15(16)18(23)21-14-7-8-17-13(11-14)9-10-25-17/h3-12H,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyGSGQTLYDFSHGTA-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.68
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide

N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55929497) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55929497
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C19H19N3O2S/c1-12(2)20-19(24)22-16-6-4-3-5-15(16)18(23)21-14-7-8-17-13(11-14)9-10-25-17/h3-12H,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyGSGQTLYDFSHGTA-UHFFFAOYSA-N
XLogP4.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47089076
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
N-(1-benzothiophen-5-yl)-2-bromo-5-methylbenzamide
CID 80980410
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CID 106685930
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CID 56795686

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide (CID 55929497) is N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is GSGQTLYDFSHGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12(2)20-19(24)22-16-6-4-3-5-15(16)18(23)21-14-7-8-17-13(11-14)9-10-25-17/h3-12H,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide?
N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 353.45 g/mol, XLogP of 4.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55929497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).