5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one

C16H17ClN2OS — CID 62277062

IUPAC5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
SMILESCCCNC(c1ccc2c(c1)CC(=O)N2)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClN2OS/c1-2-7-18-16(13-5-6-14(17)21-13)10-3-4-12-11(8-10)9-15(20)19-12/h3-6,8,16,18H,2,7,9H2,1H3,(H,19,20)
InChIKeyAYLXMESXVLWLLP-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.99
Rot. Bonds5

About 5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one

5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one (PubChem CID 62277062) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
PubChem CID62277062
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
SMILESCCCNC(c1ccc2c(c1)CC(=O)N2)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClN2OS/c1-2-7-18-16(13-5-6-14(17)21-13)10-3-4-12-11(8-10)9-15(20)19-12/h3-6,8,16,18H,2,7,9H2,1H3,(H,19,20)
InChIKeyAYLXMESXVLWLLP-UHFFFAOYSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
CID 43496622
5-[3,3-dimethyl-1-(propylamino)butyl]-1,3-dihydroindol-2-one
CID 43496647
6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490884
4-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105173433
4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid
CID 82349920
N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105021397
N-[(3-bromo-4-ethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 104657731
5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 65237224
N-[(5-chlorothiophen-2-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022772
5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one
CID 43491531
5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one
CID 116857239
ethyl 2-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)acetate
CID 116863121

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one (CID 62277062) is 5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one is CCCNC(c1ccc2c(c1)CC(=O)N2)c1ccc(Cl)s1.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one?
The InChIKey is AYLXMESXVLWLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-2-7-18-16(13-5-6-14(17)21-13)10-3-4-12-11(8-10)9-15(20)19-12/h3-6,8,16,18H,2,7,9H2,1H3,(H,19,20).
What are the key properties of 5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one?
5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one has a molecular weight of 320.85 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 62277062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).