[3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone

C17H20N2OS — CID 103525865

IUPAC[3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESCc1cccc(CCNc2cc(N)c(C(=O)C3CC3)s2)c1
InChIInChI=1S/C17H20N2OS/c1-11-3-2-4-12(9-11)7-8-19-15-10-14(18)17(21-15)16(20)13-5-6-13/h2-4,9-10,13,19H,5-8,18H2,1H3
InChIKeyZZJKDZFHHHHLKG-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.89
Rot. Bonds6

About [3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103525865) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is [3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103525865
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name[3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESCc1cccc(CCNc2cc(N)c(C(=O)C3CC3)s2)c1
InChIInChI=1S/C17H20N2OS/c1-11-3-2-4-12(9-11)7-8-19-15-10-14(18)17(21-15)16(20)13-5-6-13/h2-4,9-10,13,19H,5-8,18H2,1H3
InChIKeyZZJKDZFHHHHLKG-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-5-[(4-chlorophenyl)methylamino]thiophen-2-yl]-cyclopropylmethanone
CID 103422919
3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432151
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide
CID 62313165
1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone
CID 114468210
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 108915633
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide
CID 115545852
methyl 3-amino-4-[2-(3-methylphenyl)ethylamino]benzoate
CID 62313420
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
CID 51276836
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone (CID 103525865) is [3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone is Cc1cccc(CCNc2cc(N)c(C(=O)C3CC3)s2)c1.
What is the InChIKey of [3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is ZZJKDZFHHHHLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-3-2-4-12(9-11)7-8-19-15-10-14(18)17(21-15)16(20)13-5-6-13/h2-4,9-10,13,19H,5-8,18H2,1H3.
What are the key properties of [3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 300.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[2-(3-methylphenyl)ethylamino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103525865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).