3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide

C15H19N3O2S — CID 107112937

IUPAC3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1sc2c(C)cccc2c1N
InChIInChI=1S/C15H19N3O2S/c1-4-17-14(19)9(3)18-15(20)13-11(16)10-7-5-6-8(2)12(10)21-13/h5-7,9H,4,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyPLVRHYHZUMFQPN-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.05
Rot. Bonds4

About 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide

3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide (PubChem CID 107112937) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide
PubChem CID107112937
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1sc2c(C)cccc2c1N
InChIInChI=1S/C15H19N3O2S/c1-4-17-14(19)9(3)18-15(20)13-11(16)10-7-5-6-8(2)12(10)21-13/h5-7,9H,4,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyPLVRHYHZUMFQPN-UHFFFAOYSA-N
XLogP2.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-amino-1-oxopropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112859
3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide
CID 107112763
3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide
CID 107112841
3-amino-N-(4-hydroxybutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113474
3-amino-N-(1,3-dihydroxypropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113207
3-amino-N-(1-cyclopropylpropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113119
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-7-methyl-N-(2-methylsulfanylpropyl)-1-benzothiophene-2-carboxamide
CID 107113570
3-amino-7-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 107113171
3-amino-7-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107112989
3-amino-7-methyl-N-[2-(methylsulfamoyl)ethyl]-1-benzothiophene-2-carboxamide
CID 106342964
3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide (CID 107112937) is 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide is CCNC(=O)C(C)NC(=O)c1sc2c(C)cccc2c1N.
What is the InChIKey of 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is PLVRHYHZUMFQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-17-14(19)9(3)18-15(20)13-11(16)10-7-5-6-8(2)12(10)21-13/h5-7,9H,4,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide?
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107112937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).