(3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one

C20H18N2OS — CID 98176193

IUPAC(3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one
SMILESCN(Cc1cccs1)N1C(=O)[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C20H18N2OS/c1-21(14-16-10-7-13-24-16)22-18-12-6-5-11-17(18)19(20(22)23)15-8-3-2-4-9-15/h2-13,19H,14H2,1H3/t19-/m0/s1
InChIKeyLAFAJOAOESQLLN-IBGZPJMESA-N
MW334.44 g/mol
LogP4.27
Rot. Bonds4

About (3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one

(3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one (PubChem CID 98176193) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is (3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name(3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one
PubChem CID98176193
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name(3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one
SMILESCN(Cc1cccs1)N1C(=O)[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C20H18N2OS/c1-21(14-16-10-7-13-24-16)22-18-12-6-5-11-17(18)19(20(22)23)15-8-3-2-4-9-15/h2-13,19H,14H2,1H3/t19-/m0/s1
InChIKeyLAFAJOAOESQLLN-IBGZPJMESA-N
XLogP4.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[methyl-[(2-methylphenyl)methyl]amino]-3-phenyl-3H-indol-2-one
CID 98176184
(3S)-1-[methyl(2-phenylethyl)amino]-3-phenyl-3H-indol-2-one
CID 98198135
(3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
CID 98176206
1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
CID 117065927
1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
CID 117065900
N-(2-oxo-3-phenyl-3H-indol-1-yl)-N-phenylacetamide
CID 13316077
2-[(4S)-2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 99785751
2-[2,5-dioxo-4-(2-phenylmethoxyphenyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 86816069
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
1-(2-methylanilino)-3-phenyl-3H-indol-2-one
CID 12654244

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one?
The IUPAC name of (3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one (CID 98176193) is (3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one.
What is the SMILES notation for (3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one?
The canonical SMILES for (3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one is CN(Cc1cccs1)N1C(=O)[C@@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one?
The InChIKey is LAFAJOAOESQLLN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N2OS/c1-21(14-16-10-7-13-24-16)22-18-12-6-5-11-17(18)19(20(22)23)15-8-3-2-4-9-15/h2-13,19H,14H2,1H3/t19-/m0/s1.
What are the key properties of (3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one?
(3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one has a molecular weight of 334.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[methyl(thiophen-2-ylmethyl)amino]-3-phenyl-3H-indol-2-one is sourced from PubChem (CID 98176193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).