N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C18H21N3O2S — CID 2792206

IUPACN-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2
InChIInChI=1S/C18H21N3O2S/c19-10-11-20-17(23)15-13-8-4-5-9-14(13)24-18(15)21-16(22)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,19H2,(H,20,23)(H,21,22)
InChIKeyZPYAIIWAWHNWSB-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.57
Rot. Bonds5

About N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 2792206) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID2792206
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESNCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2
InChIInChI=1S/C18H21N3O2S/c19-10-11-20-17(23)15-13-8-4-5-9-14(13)24-18(15)21-16(22)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,19H2,(H,20,23)(H,21,22)
InChIKeyZPYAIIWAWHNWSB-UHFFFAOYSA-N
XLogP2.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 2792206) is N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is NCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2.
What is the InChIKey of N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is ZPYAIIWAWHNWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c19-10-11-20-17(23)15-13-8-4-5-9-14(13)24-18(15)21-16(22)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,19H2,(H,20,23)(H,21,22).
What are the key properties of N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2792206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).